REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3h0m_1_S DATA FIRST_RESID 1 DATA SEQUENCE MLWKKSLSEL RELLKRGEVS PKEVVESFYD RYNQTEEKVK AYITPLYGKA DATA SEQUENCE LKQAESLKER ELPLFGIPIA VKDNILVEGE KTTCASKILE NFVAPYDATV DATA SEQUENCE IERLKKAGAL IVGKTNLDEF AMGSSTEYSA FFPTKNPWDL ERVPGGSSGG DATA SEQUENCE SAASVAVLSA PVSLGSDTGG SIRQPASFCG VIGIKPTYGR VSRYGLVAFA DATA SEQUENCE SSLDQIGVFG RRTEDVALVL EVISGWDEKD STSAKVPVPE WSEEVKKEVK DATA SEQUENCE GLKIGLPKEF FEYELQPQVK EAFENFIKEL EKEGFEIKEV SLPHVKYSIP DATA SEQUENCE TYYIIAPSEA SSNLARYDGV RYGYRAKEYK DIFEMYARTR DEGFGPEVKR DATA SEQUENCE RIMLGTFALS AGYYDAYYLK AQKVRRLITN DFLKAFEEVD VIASPTTPTL DATA SEQUENCE PFKFGERLEN PIEMYLSDIL TVPANLAGLP AISIPIAWKD GLPVGGQLIG DATA SEQUENCE KHWDETTLLQ ISYLWEQKFK HYEKIPLT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.969 176.300 -0.552 0.000 1.140 1 M CA 0.000 55.013 55.300 -0.478 0.000 0.988 1 M CB 0.000 32.218 32.600 -0.638 0.000 1.302 2 L N 0.077 121.062 121.223 -0.395 0.000 3.428 2 L HA -0.332 4.008 4.340 0.001 0.000 0.267 2 L C 1.066 177.729 176.870 -0.345 0.000 4.235 2 L CA 3.140 57.818 54.840 -0.269 0.000 1.105 2 L CB -1.648 40.309 42.059 -0.169 0.000 3.396 2 L HN 0.720 nan 8.230 nan 0.000 0.847 3 W N 0.264 121.252 121.300 -0.520 0.000 2.525 3 W HA -0.013 4.648 4.660 0.001 0.000 0.259 3 W C 1.662 178.025 176.519 -0.260 0.000 1.253 3 W CA 1.024 57.801 57.345 -0.947 0.000 1.262 3 W CB -0.658 28.207 29.460 -0.992 0.000 1.122 3 W HN 0.425 nan 8.180 nan 0.000 0.607 4 K N 1.360 121.385 120.400 -0.626 0.000 2.487 4 K HA 0.015 4.336 4.320 0.001 0.000 0.192 4 K C 0.416 176.950 176.600 -0.110 0.000 1.027 4 K CA 0.388 56.407 56.287 -0.446 0.000 1.054 4 K CB 0.091 32.124 32.500 -0.779 0.000 0.824 4 K HN 0.005 nan 8.250 nan 0.000 0.510 5 K N 0.821 121.194 120.400 -0.045 0.000 2.098 5 K HA 0.116 4.436 4.320 0.001 0.000 0.258 5 K C 0.138 176.823 176.600 0.142 0.000 0.973 5 K CA -0.475 55.834 56.287 0.035 0.000 0.898 5 K CB 1.739 34.243 32.500 0.008 0.000 1.057 5 K HN -0.008 nan 8.250 nan 0.000 0.447 6 S N 1.370 117.132 115.700 0.104 0.000 2.634 6 S HA 0.148 4.619 4.470 0.001 0.000 0.261 6 S C 1.335 176.010 174.600 0.125 0.000 1.271 6 S CA -0.662 57.604 58.200 0.111 0.000 0.985 6 S CB 0.316 63.537 63.200 0.036 0.000 0.968 6 S HN 0.578 nan 8.310 nan 0.000 0.568 7 L N 0.955 122.249 121.223 0.118 0.000 2.275 7 L HA -0.049 4.291 4.340 0.001 0.000 0.215 7 L C 2.664 179.592 176.870 0.095 0.000 1.119 7 L CA 0.866 55.774 54.840 0.114 0.000 0.790 7 L CB -1.057 41.063 42.059 0.101 0.000 0.919 7 L HN 0.712 nan 8.230 nan 0.000 0.443 8 S N 0.037 115.782 115.700 0.075 0.000 2.357 8 S HA -0.144 4.326 4.470 0.001 0.000 0.221 8 S C 1.815 176.453 174.600 0.064 0.000 1.031 8 S CA 1.047 59.284 58.200 0.063 0.000 0.982 8 S CB -0.062 63.165 63.200 0.046 0.000 0.853 8 S HN 0.421 nan 8.310 nan 0.000 0.458 9 E N 0.865 121.101 120.200 0.060 0.000 2.077 9 E HA -0.092 4.259 4.350 0.001 0.000 0.193 9 E C 1.909 178.553 176.600 0.073 0.000 0.989 9 E CA 0.795 57.228 56.400 0.056 0.000 0.800 9 E CB -0.183 29.543 29.700 0.043 0.000 0.746 9 E HN 0.154 nan 8.360 nan 0.000 0.452 10 L N 0.717 121.999 121.223 0.099 0.000 2.046 10 L HA -0.141 4.199 4.340 0.001 0.000 0.208 10 L C 2.352 179.298 176.870 0.127 0.000 1.077 10 L CA 1.633 56.547 54.840 0.122 0.000 0.747 10 L CB -0.702 41.456 42.059 0.165 0.000 0.896 10 L HN 0.036 nan 8.230 nan 0.000 0.432 11 R N -0.311 120.263 120.500 0.124 0.000 2.080 11 R HA -0.209 4.131 4.340 0.001 0.000 0.236 11 R C 2.263 178.635 176.300 0.120 0.000 1.137 11 R CA 1.836 58.019 56.100 0.138 0.000 0.943 11 R CB -0.278 30.091 30.300 0.115 0.000 0.846 11 R HN 0.407 nan 8.270 nan 0.000 0.431 12 E N -0.050 120.203 120.200 0.087 0.000 2.070 12 E HA -0.228 4.123 4.350 0.001 0.000 0.197 12 E C 1.893 178.536 176.600 0.072 0.000 1.004 12 E CA 1.503 57.943 56.400 0.067 0.000 0.805 12 E CB -0.003 29.728 29.700 0.052 0.000 0.744 12 E HN 0.237 nan 8.360 nan 0.000 0.451 13 L N 0.340 121.611 121.223 0.080 0.000 2.131 13 L HA -0.162 4.178 4.340 0.001 0.000 0.210 13 L C 2.234 179.170 176.870 0.111 0.000 1.092 13 L CA 1.271 56.159 54.840 0.080 0.000 0.759 13 L CB -0.425 41.677 42.059 0.071 0.000 0.903 13 L HN 0.202 nan 8.230 nan 0.000 0.435 14 L N -1.384 119.935 121.223 0.159 0.000 2.131 14 L HA -0.134 4.206 4.340 0.001 0.000 0.206 14 L C 2.499 179.498 176.870 0.214 0.000 1.087 14 L CA 0.831 55.826 54.840 0.259 0.000 0.767 14 L CB -0.329 41.966 42.059 0.393 0.000 0.917 14 L HN 0.168 nan 8.230 nan 0.000 0.441 15 K N 0.355 120.831 120.400 0.128 0.000 2.097 15 K HA -0.097 4.223 4.320 0.001 0.000 0.205 15 K C 1.625 178.233 176.600 0.013 0.000 1.050 15 K CA 1.165 57.467 56.287 0.025 0.000 0.938 15 K CB 0.165 32.679 32.500 0.024 0.000 0.718 15 K HN 0.200 nan 8.250 nan 0.000 0.442 16 R N -0.863 119.661 120.500 0.040 0.000 2.426 16 R HA 0.115 4.456 4.340 0.001 0.000 0.263 16 R C 0.803 177.128 176.300 0.041 0.000 0.961 16 R CA 0.453 56.571 56.100 0.030 0.000 1.086 16 R CB 0.659 30.977 30.300 0.030 0.000 1.186 16 R HN 0.382 nan 8.270 nan 0.000 0.537 17 G N 1.556 110.394 108.800 0.063 0.000 2.196 17 G HA2 -0.385 3.576 3.960 0.001 0.000 0.268 17 G HA3 -0.385 3.576 3.960 0.001 0.000 0.268 17 G C 0.774 175.715 174.900 0.068 0.000 0.975 17 G CA 0.871 46.016 45.100 0.074 0.000 0.648 17 G HN 0.495 nan 8.290 nan 0.000 0.538 18 E N -0.959 119.277 120.200 0.060 0.000 2.219 18 E HA 0.114 4.464 4.350 0.001 0.000 0.198 18 E C 1.152 177.785 176.600 0.055 0.000 0.998 18 E CA 1.222 57.651 56.400 0.049 0.000 0.818 18 E CB 0.197 29.921 29.700 0.041 0.000 0.741 18 E HN 0.537 nan 8.360 nan 0.000 0.477 19 V N 0.020 119.980 119.914 0.077 0.000 3.078 19 V HA 0.318 4.438 4.120 0.001 0.000 0.311 19 V C -1.080 175.080 176.094 0.110 0.000 1.138 19 V CA -0.653 61.696 62.300 0.081 0.000 1.007 19 V CB 2.362 34.230 31.823 0.075 0.000 1.045 19 V HN 0.160 nan 8.190 nan 0.000 0.432 20 S N 4.200 119.955 115.700 0.092 0.000 2.593 20 S HA 0.639 5.109 4.470 0.001 0.000 0.297 20 S C -2.216 172.410 174.600 0.045 0.000 1.112 20 S CA -1.362 56.895 58.200 0.095 0.000 1.043 20 S CB 1.692 64.939 63.200 0.078 0.000 1.054 20 S HN 0.564 nan 8.310 nan 0.000 0.516 21 P HA -0.134 nan 4.420 nan 0.000 0.216 21 P C 1.321 178.611 177.300 -0.017 0.000 1.150 21 P CA 1.237 64.257 63.100 -0.134 0.000 0.843 21 P CB 0.111 31.637 31.700 -0.290 0.000 0.787 22 K N 0.022 120.433 120.400 0.018 0.000 2.057 22 K HA -0.187 4.133 4.320 0.001 0.000 0.207 22 K C 1.941 178.591 176.600 0.083 0.000 1.049 22 K CA 1.467 57.786 56.287 0.054 0.000 0.931 22 K CB -0.170 32.361 32.500 0.052 0.000 0.714 22 K HN 0.122 nan 8.250 nan 0.000 0.440 23 E N -0.055 120.190 120.200 0.075 0.000 2.051 23 E HA -0.172 4.178 4.350 0.001 0.000 0.192 23 E C 1.968 178.638 176.600 0.116 0.000 0.991 23 E CA 1.492 57.940 56.400 0.081 0.000 0.799 23 E CB 0.015 29.753 29.700 0.063 0.000 0.748 23 E HN 0.068 nan 8.360 nan 0.000 0.449 24 V N 1.044 121.039 119.914 0.135 0.000 2.252 24 V HA -0.290 3.830 4.120 0.001 0.000 0.249 24 V C 2.382 178.698 176.094 0.370 0.000 1.056 24 V CA 1.718 64.159 62.300 0.234 0.000 1.022 24 V CB -0.673 31.280 31.823 0.218 0.000 0.641 24 V HN 0.147 nan 8.190 nan 0.000 0.445 25 V N -0.359 119.718 119.914 0.271 0.000 2.343 25 V HA -0.299 3.821 4.120 0.001 0.000 0.247 25 V C 2.401 178.695 176.094 0.334 0.000 1.051 25 V CA 2.221 64.707 62.300 0.310 0.000 1.036 25 V CB -0.772 31.164 31.823 0.189 0.000 0.654 25 V HN 0.567 nan 8.190 nan 0.000 0.451 26 E N 0.026 120.369 120.200 0.239 0.000 2.085 26 E HA -0.225 4.125 4.350 0.001 0.000 0.194 26 E C 2.475 179.167 176.600 0.153 0.000 0.994 26 E CA 1.590 58.103 56.400 0.189 0.000 0.801 26 E CB -0.281 29.480 29.700 0.103 0.000 0.743 26 E HN 0.511 nan 8.360 nan 0.000 0.453 27 S N -0.422 115.364 115.700 0.143 0.000 2.359 27 S HA -0.189 4.281 4.470 0.001 0.000 0.222 27 S C 1.661 176.300 174.600 0.065 0.000 1.038 27 S CA 1.366 59.621 58.200 0.092 0.000 1.051 27 S CB -0.305 62.886 63.200 -0.014 0.000 0.944 27 S HN 0.234 nan 8.310 nan 0.000 0.433 28 F N 0.120 120.187 119.950 0.196 0.000 2.234 28 F HA 0.034 4.562 4.527 0.000 0.000 0.299 28 F C 2.247 177.980 175.800 -0.111 0.000 1.087 28 F CA 0.960 59.031 58.000 0.118 0.000 1.340 28 F CB -0.714 38.436 39.000 0.250 0.000 1.031 28 F HN 0.286 nan 8.300 nan 0.000 0.500 29 Y N 1.505 121.679 120.300 -0.211 0.000 2.165 29 Y HA -0.261 4.289 4.550 0.000 0.000 0.286 29 Y C 2.160 177.880 175.900 -0.300 0.000 1.155 29 Y CA 1.411 59.141 58.100 -0.617 0.000 1.164 29 Y CB -0.946 37.310 38.460 -0.341 0.000 0.978 29 Y HN 0.027 nan 8.280 nan 0.000 0.513 30 D N -0.408 119.972 120.400 -0.033 0.000 2.087 30 D HA -0.199 4.441 4.640 0.001 0.000 0.192 30 D C 2.355 178.545 176.300 -0.183 0.000 0.993 30 D CA 1.653 55.584 54.000 -0.115 0.000 0.828 30 D CB -0.280 40.488 40.800 -0.054 0.000 0.968 30 D HN 0.119 nan 8.370 nan 0.000 0.448 31 R N -0.056 120.258 120.500 -0.310 0.000 2.105 31 R HA -0.183 4.158 4.340 0.001 0.000 0.239 31 R C 2.256 178.373 176.300 -0.306 0.000 1.135 31 R CA 1.187 56.949 56.100 -0.564 0.000 0.967 31 R CB -1.187 28.410 30.300 -1.172 0.000 0.861 31 R HN 0.338 nan 8.270 nan 0.000 0.442 32 Y N 0.810 120.948 120.300 -0.270 0.000 2.128 32 Y HA -0.205 4.345 4.550 0.000 0.000 0.284 32 Y C 1.727 177.538 175.900 -0.150 0.000 1.154 32 Y CA 2.164 60.147 58.100 -0.197 0.000 1.149 32 Y CB -0.530 37.675 38.460 -0.426 0.000 0.976 32 Y HN 0.142 nan 8.280 nan 0.000 0.505 33 N N 0.462 118.976 118.700 -0.311 0.000 2.166 33 N HA -0.185 4.556 4.740 0.001 0.000 0.186 33 N C 1.740 177.069 175.510 -0.301 0.000 1.019 33 N CA 1.664 54.506 53.050 -0.346 0.000 0.856 33 N CB -0.318 38.053 38.487 -0.194 0.000 0.993 33 N HN 0.625 nan 8.380 nan 0.000 0.426 34 Q N -0.565 119.080 119.800 -0.258 0.000 2.096 34 Q HA -0.060 4.280 4.340 0.001 0.000 0.204 34 Q C 1.362 177.227 176.000 -0.225 0.000 0.982 34 Q CA 1.710 57.381 55.803 -0.220 0.000 0.850 34 Q CB 0.054 28.655 28.738 -0.228 0.000 0.901 34 Q HN 0.314 nan 8.270 nan 0.000 0.422 35 T N -0.736 113.663 114.554 -0.259 0.000 3.018 35 T HA -0.019 4.331 4.350 0.001 0.000 0.246 35 T C 1.390 175.970 174.700 -0.200 0.000 1.026 35 T CA 0.425 62.404 62.100 -0.202 0.000 1.081 35 T CB 0.137 68.901 68.868 -0.174 0.000 0.970 35 T HN 0.137 nan 8.240 nan 0.000 0.475 36 E N 2.267 122.279 120.200 -0.313 0.000 2.118 36 E HA -0.171 4.179 4.350 0.001 0.000 0.195 36 E C 2.034 178.517 176.600 -0.194 0.000 0.992 36 E CA 1.273 57.505 56.400 -0.279 0.000 0.804 36 E CB -0.110 29.179 29.700 -0.685 0.000 0.741 36 E HN 0.497 nan 8.360 nan 0.000 0.458 37 E N -0.267 119.804 120.200 -0.216 0.000 2.204 37 E HA -0.198 4.152 4.350 0.001 0.000 0.194 37 E C 1.598 178.121 176.600 -0.129 0.000 0.989 37 E CA 0.975 57.273 56.400 -0.169 0.000 0.824 37 E CB 0.111 29.716 29.700 -0.158 0.000 0.756 37 E HN 0.189 nan 8.360 nan 0.000 0.477 38 K N -0.500 119.833 120.400 -0.112 0.000 2.044 38 K HA -0.020 4.300 4.320 0.001 0.000 0.204 38 K C 2.114 178.685 176.600 -0.047 0.000 1.045 38 K CA 0.851 57.090 56.287 -0.081 0.000 0.951 38 K CB 0.194 32.647 32.500 -0.079 0.000 0.738 38 K HN -0.061 nan 8.250 nan 0.000 0.443 39 V N 1.123 121.018 119.914 -0.031 0.000 2.255 39 V HA -0.139 3.981 4.120 0.001 0.000 0.243 39 V C 0.434 176.576 176.094 0.081 0.000 1.038 39 V CA 1.024 63.341 62.300 0.028 0.000 1.008 39 V CB -0.461 31.385 31.823 0.038 0.000 0.645 39 V HN 0.400 nan 8.190 nan 0.000 0.449 40 K N -0.874 119.578 120.400 0.088 0.000 3.239 40 K HA -0.216 4.104 4.320 0.001 0.000 0.270 40 K C 0.954 177.754 176.600 0.333 0.000 1.083 40 K CA 0.470 56.858 56.287 0.167 0.000 0.782 40 K CB -1.761 30.786 32.500 0.080 0.000 1.290 40 K HN 0.555 nan 8.250 nan 0.000 0.474 41 A N -0.220 122.781 122.820 0.302 0.000 1.969 41 A HA -0.058 4.262 4.320 0.001 0.000 0.218 41 A C 0.529 178.165 177.584 0.087 0.000 1.169 41 A CA 1.128 53.258 52.037 0.156 0.000 0.635 41 A CB -0.075 18.972 19.000 0.078 0.000 0.810 41 A HN 0.383 nan 8.150 nan 0.000 0.445 42 Y N -1.714 118.757 120.300 0.285 0.000 2.387 42 Y HA 0.529 5.079 4.550 0.000 0.000 0.330 42 Y C 1.034 177.147 175.900 0.356 0.000 1.133 42 Y CA -0.648 57.592 58.100 0.232 0.000 1.152 42 Y CB 1.192 39.751 38.460 0.165 0.000 1.215 42 Y HN -0.007 nan 8.280 nan 0.000 0.466 43 I N 0.165 120.948 120.570 0.355 0.000 2.556 43 I HA 0.004 4.174 4.170 0.001 0.000 0.251 43 I C 0.093 176.345 176.117 0.225 0.000 1.105 43 I CA 0.936 62.423 61.300 0.312 0.000 1.436 43 I CB 0.350 38.459 38.000 0.183 0.000 1.139 43 I HN 0.511 nan 8.210 nan 0.000 0.438 44 T N 3.563 118.223 114.554 0.178 0.000 2.963 44 T HA 0.301 4.651 4.350 0.001 0.000 0.328 44 T C -2.595 172.128 174.700 0.039 0.000 1.048 44 T CA -1.122 61.025 62.100 0.078 0.000 1.033 44 T CB 1.517 70.400 68.868 0.025 0.000 1.010 44 T HN -0.083 nan 8.240 nan 0.000 0.469 45 P HA 0.290 nan 4.420 nan 0.000 0.276 45 P C -0.187 176.917 177.300 -0.327 0.000 1.230 45 P CA -0.344 62.532 63.100 -0.374 0.000 0.776 45 P CB 1.187 32.635 31.700 -0.421 0.000 0.888 46 L N 2.374 123.309 121.223 -0.479 0.000 3.267 46 L HA 0.212 4.552 4.340 0.001 0.000 0.289 46 L C 1.266 177.905 176.870 -0.386 0.000 1.260 46 L CA -0.199 54.441 54.840 -0.334 0.000 1.034 46 L CB -0.163 41.747 42.059 -0.247 0.000 1.413 46 L HN 0.271 nan 8.230 nan 0.000 0.594 47 Y N 0.902 120.867 120.300 -0.559 0.000 2.224 47 Y HA -0.165 4.385 4.550 0.000 0.000 0.289 47 Y C 2.560 178.222 175.900 -0.396 0.000 1.146 47 Y CA 1.633 59.346 58.100 -0.645 0.000 1.182 47 Y CB -0.355 37.271 38.460 -1.389 0.000 0.983 47 Y HN 0.284 nan 8.280 nan 0.000 0.524 48 G N 0.074 108.781 108.800 -0.155 0.000 2.491 48 G HA2 -0.355 3.605 3.960 0.001 0.000 0.218 48 G HA3 -0.355 3.605 3.960 0.001 0.000 0.218 48 G C 1.646 176.546 174.900 -0.000 0.000 1.180 48 G CA 1.381 46.496 45.100 0.024 0.000 0.774 48 G HN 0.331 nan 8.290 nan 0.000 0.562 49 K N 0.370 120.738 120.400 -0.053 0.000 2.155 49 K HA 0.179 4.500 4.320 0.001 0.000 0.203 49 K C 2.823 179.395 176.600 -0.046 0.000 1.052 49 K CA 0.947 57.207 56.287 -0.045 0.000 0.948 49 K CB -0.212 32.251 32.500 -0.062 0.000 0.728 49 K HN 0.239 nan 8.250 nan 0.000 0.448 50 A N 1.016 123.791 122.820 -0.075 0.000 1.898 50 A HA -0.136 4.185 4.320 0.001 0.000 0.216 50 A C 1.891 179.468 177.584 -0.011 0.000 1.181 50 A CA 0.941 52.940 52.037 -0.064 0.000 0.620 50 A CB -0.489 18.445 19.000 -0.110 0.000 0.819 50 A HN 0.227 nan 8.150 nan 0.000 0.442 51 L N 0.042 121.281 121.223 0.027 0.000 1.997 51 L HA -0.219 4.121 4.340 0.001 0.000 0.216 51 L C 2.350 179.244 176.870 0.039 0.000 1.074 51 L CA 2.265 57.143 54.840 0.063 0.000 0.763 51 L CB -0.984 41.142 42.059 0.112 0.000 0.890 51 L HN 0.402 nan 8.230 nan 0.000 0.434 52 K N -1.225 119.191 120.400 0.027 0.000 2.057 52 K HA -0.168 4.152 4.320 0.001 0.000 0.207 52 K C 2.027 178.634 176.600 0.012 0.000 1.049 52 K CA 1.221 57.520 56.287 0.020 0.000 0.931 52 K CB -0.145 32.363 32.500 0.014 0.000 0.714 52 K HN 0.440 nan 8.250 nan 0.000 0.440 53 Q N -0.085 119.715 119.800 0.000 0.000 2.224 53 Q HA -0.086 4.254 4.340 0.001 0.000 0.203 53 Q C 2.097 178.096 176.000 -0.002 0.000 0.970 53 Q CA 1.105 56.905 55.803 -0.004 0.000 0.865 53 Q CB -0.056 28.670 28.738 -0.019 0.000 0.922 53 Q HN 0.336 nan 8.270 nan 0.000 0.445 54 A N 1.212 124.029 122.820 -0.005 0.000 1.930 54 A HA -0.226 4.094 4.320 0.001 0.000 0.217 54 A C 1.769 179.360 177.584 0.013 0.000 1.175 54 A CA 1.360 53.388 52.037 -0.015 0.000 0.627 54 A CB -0.332 18.662 19.000 -0.010 0.000 0.815 54 A HN 0.319 nan 8.150 nan 0.000 0.443 55 E N 0.333 120.549 120.200 0.026 0.000 2.097 55 E HA -0.171 4.179 4.350 0.001 0.000 0.196 55 E C 2.032 178.661 176.600 0.048 0.000 1.000 55 E CA 1.759 58.182 56.400 0.038 0.000 0.804 55 E CB -0.126 29.594 29.700 0.033 0.000 0.740 55 E HN 0.770 nan 8.360 nan 0.000 0.454 56 S N -0.070 115.656 115.700 0.043 0.000 2.575 56 S HA 0.114 4.584 4.470 0.001 0.000 0.215 56 S C 0.698 175.343 174.600 0.076 0.000 0.966 56 S CA -0.229 58.002 58.200 0.052 0.000 0.911 56 S CB 0.149 63.372 63.200 0.038 0.000 0.780 56 S HN 0.085 nan 8.310 nan 0.000 0.514 57 L N 2.093 123.368 121.223 0.087 0.000 2.369 57 L HA 0.308 4.649 4.340 0.001 0.000 0.279 57 L C 0.922 177.965 176.870 0.288 0.000 1.108 57 L CA -0.000 54.932 54.840 0.155 0.000 0.852 57 L CB 0.767 42.860 42.059 0.056 0.000 1.169 57 L HN 0.172 nan 8.230 nan 0.000 0.452 58 K N 2.134 122.707 120.400 0.289 0.000 2.485 58 K HA 0.091 4.411 4.320 0.001 0.000 0.200 58 K C 0.100 176.722 176.600 0.036 0.000 1.352 58 K CA -0.221 56.187 56.287 0.201 0.000 0.953 58 K CB 0.583 33.140 32.500 0.096 0.000 1.387 58 K HN 0.497 nan 8.250 nan 0.000 0.512 59 E N 2.476 122.684 120.200 0.013 0.000 2.238 59 E HA -0.011 4.339 4.350 0.001 0.000 0.264 59 E C 0.352 176.660 176.600 -0.488 0.000 1.136 59 E CA -0.046 56.265 56.400 -0.150 0.000 0.929 59 E CB 0.485 30.159 29.700 -0.044 0.000 1.010 59 E HN 0.114 nan 8.360 nan 0.000 0.440 60 R N 2.871 122.895 120.500 -0.794 0.000 2.148 60 R HA -0.061 4.279 4.340 0.001 0.000 0.223 60 R C 1.388 177.372 176.300 -0.527 0.000 1.088 60 R CA 0.670 55.984 56.100 -1.310 0.000 0.985 60 R CB 0.178 29.985 30.300 -0.822 0.000 0.880 60 R HN 0.508 nan 8.270 nan 0.000 0.451 61 E N 0.602 120.643 120.200 -0.265 0.000 2.418 61 E HA -0.082 4.268 4.350 0.001 0.000 0.197 61 E C -0.043 176.544 176.600 -0.023 0.000 1.026 61 E CA 0.323 56.662 56.400 -0.102 0.000 0.862 61 E CB 0.029 29.685 29.700 -0.074 0.000 0.799 61 E HN 0.086 nan 8.360 nan 0.000 0.518 62 L N 1.797 123.023 121.223 0.005 0.000 2.540 62 L HA -0.024 4.316 4.340 0.001 0.000 0.276 62 L C -1.374 175.572 176.870 0.125 0.000 1.212 62 L CA -0.826 54.068 54.840 0.090 0.000 0.893 62 L CB -0.007 42.148 42.059 0.160 0.000 1.138 62 L HN -0.154 nan 8.230 nan 0.000 0.491 63 P HA -0.157 nan 4.420 nan 0.000 0.217 63 P C 0.707 178.076 177.300 0.115 0.000 1.148 63 P CA 1.451 64.607 63.100 0.092 0.000 0.834 63 P CB 0.143 31.888 31.700 0.075 0.000 0.783 64 L N -3.256 118.043 121.223 0.127 0.000 3.218 64 L HA 0.242 4.582 4.340 0.001 0.000 0.279 64 L C 1.343 178.295 176.870 0.137 0.000 1.287 64 L CA -0.528 54.381 54.840 0.114 0.000 1.024 64 L CB -0.419 41.685 42.059 0.075 0.000 1.409 64 L HN -0.124 nan 8.230 nan 0.000 0.580 65 F N 2.575 122.549 119.950 0.039 0.000 2.064 65 F HA -0.313 4.214 4.527 0.001 0.000 0.292 65 F C 1.753 177.579 175.800 0.043 0.000 1.107 65 F CA 2.212 60.235 58.000 0.039 0.000 1.243 65 F CB -0.375 38.649 39.000 0.040 0.000 0.949 65 F HN 0.146 nan 8.300 nan 0.000 0.506 66 G N 0.009 108.573 108.800 -0.394 0.000 3.651 66 G HA2 0.281 4.241 3.960 0.001 0.000 0.279 66 G HA3 0.281 4.241 3.960 0.001 0.000 0.279 66 G C -0.186 174.605 174.900 -0.182 0.000 1.024 66 G CA -0.180 44.608 45.100 -0.521 0.000 0.813 66 G HN 0.154 nan 8.290 nan 0.000 0.518 67 I N 1.971 122.485 120.570 -0.092 0.000 2.396 67 I HA 0.278 4.448 4.170 0.001 0.000 0.289 67 I C -2.297 173.763 176.117 -0.095 0.000 1.056 67 I CA -3.814 57.455 61.300 -0.052 0.000 1.365 67 I CB 0.662 38.657 38.000 -0.008 0.000 1.407 67 I HN -0.120 nan 8.210 nan 0.000 0.509 68 P HA 0.349 nan 4.420 nan 0.000 0.271 68 P C -0.508 176.679 177.300 -0.189 0.000 1.218 68 P CA -0.162 62.821 63.100 -0.195 0.000 0.780 68 P CB 0.993 32.506 31.700 -0.313 0.000 0.901 69 I N 0.822 121.306 120.570 -0.143 0.000 2.644 69 I HA 0.634 4.804 4.170 0.001 0.000 0.291 69 I C -1.178 174.890 176.117 -0.083 0.000 1.180 69 I CA -0.821 60.424 61.300 -0.091 0.000 1.040 69 I CB 1.739 39.712 38.000 -0.044 0.000 1.255 69 I HN 0.371 nan 8.210 nan 0.000 0.422 70 A N 6.078 128.866 122.820 -0.054 0.000 2.286 70 A HA 0.859 5.179 4.320 0.001 0.000 0.286 70 A C -1.047 176.504 177.584 -0.056 0.000 1.097 70 A CA -0.445 51.560 52.037 -0.053 0.000 0.821 70 A CB 1.188 20.129 19.000 -0.097 0.000 1.076 70 A HN 0.649 nan 8.150 nan 0.000 0.490 71 V N 1.543 121.415 119.914 -0.070 0.000 2.733 71 V HA 0.289 4.409 4.120 0.001 0.000 0.306 71 V C 0.048 176.107 176.094 -0.059 0.000 1.084 71 V CA -0.884 61.391 62.300 -0.040 0.000 0.905 71 V CB 1.887 33.693 31.823 -0.029 0.000 1.010 71 V HN 1.016 nan 8.190 nan 0.000 0.424 72 K N 1.869 122.252 120.400 -0.028 0.000 2.436 72 K HA 0.061 4.382 4.320 0.001 0.000 0.275 72 K C 0.259 176.841 176.600 -0.030 0.000 0.999 72 K CA -0.061 56.207 56.287 -0.033 0.000 0.980 72 K CB 0.485 32.996 32.500 0.018 0.000 0.919 72 K HN 0.750 nan 8.250 nan 0.000 0.484 73 D N 2.163 122.537 120.400 -0.043 0.000 2.504 73 D HA -0.028 4.613 4.640 0.001 0.000 0.243 73 D C 0.097 176.369 176.300 -0.047 0.000 1.203 73 D CA 0.174 54.153 54.000 -0.035 0.000 0.847 73 D CB -0.175 40.612 40.800 -0.022 0.000 0.973 73 D HN 0.530 nan 8.370 nan 0.000 0.490 74 N N -0.317 118.368 118.700 -0.026 0.000 2.197 74 N HA 0.091 4.831 4.740 0.001 0.000 0.228 74 N C -0.397 175.123 175.510 0.018 0.000 1.212 74 N CA -0.254 52.791 53.050 -0.007 0.000 0.883 74 N CB -0.117 38.382 38.487 0.021 0.000 1.107 74 N HN 0.074 nan 8.380 nan 0.000 0.519 75 I N 0.951 121.523 120.570 0.003 0.000 2.354 75 I HA 0.274 4.445 4.170 0.001 0.000 0.292 75 I C -0.466 175.626 176.117 -0.042 0.000 0.989 75 I CA -1.040 60.258 61.300 -0.004 0.000 1.188 75 I CB 1.687 39.694 38.000 0.011 0.000 1.342 75 I HN -0.134 nan 8.210 nan 0.000 0.457 76 L N 7.557 128.723 121.223 -0.096 0.000 2.361 76 L HA 0.250 4.590 4.340 0.001 0.000 0.278 76 L C -0.330 176.446 176.870 -0.157 0.000 1.113 76 L CA 0.224 54.958 54.840 -0.178 0.000 0.849 76 L CB 0.835 42.635 42.059 -0.433 0.000 1.155 76 L HN 0.282 nan 8.230 nan 0.000 0.452 77 V N 3.411 123.251 119.914 -0.124 0.000 2.357 77 V HA 0.279 4.400 4.120 0.001 0.000 0.284 77 V C 0.290 176.314 176.094 -0.117 0.000 1.018 77 V CA -1.019 61.221 62.300 -0.099 0.000 0.841 77 V CB 1.390 33.171 31.823 -0.070 0.000 0.991 77 V HN 0.604 nan 8.190 nan 0.000 0.437 78 E N 2.893 123.031 120.200 -0.102 0.000 2.465 78 E HA 0.213 4.563 4.350 0.001 0.000 0.260 78 E C 1.305 177.855 176.600 -0.083 0.000 0.980 78 E CA 1.374 57.719 56.400 -0.092 0.000 0.927 78 E CB 0.927 30.606 29.700 -0.035 0.000 0.934 78 E HN 1.090 nan 8.360 nan 0.000 0.459 79 G N 4.272 113.011 108.800 -0.102 0.000 2.253 79 G HA2 -0.210 3.751 3.960 0.001 0.000 0.251 79 G HA3 -0.210 3.751 3.960 0.001 0.000 0.251 79 G C 0.131 174.973 174.900 -0.097 0.000 0.998 79 G CA 0.353 45.400 45.100 -0.088 0.000 0.621 79 G HN 0.530 nan 8.290 nan 0.000 0.524 80 E N 0.551 120.688 120.200 -0.106 0.000 2.235 80 E HA 0.471 4.821 4.350 0.001 0.000 0.265 80 E C 0.112 176.648 176.600 -0.107 0.000 0.940 80 E CA -0.862 55.482 56.400 -0.092 0.000 0.819 80 E CB 1.103 30.759 29.700 -0.074 0.000 1.206 80 E HN 0.352 nan 8.360 nan 0.000 0.409 81 K N 0.743 121.098 120.400 -0.073 0.000 2.489 81 K HA 0.128 4.449 4.320 0.001 0.000 0.278 81 K C -0.283 176.318 176.600 0.000 0.000 1.000 81 K CA 0.627 56.889 56.287 -0.042 0.000 1.012 81 K CB 0.278 32.775 32.500 -0.005 0.000 0.903 81 K HN 0.267 nan 8.250 nan 0.000 0.485 82 T N 1.926 116.526 114.554 0.077 0.000 2.864 82 T HA 0.107 4.457 4.350 0.001 0.000 0.310 82 T C 0.991 175.779 174.700 0.147 0.000 1.040 82 T CA -0.663 61.506 62.100 0.114 0.000 0.977 82 T CB 1.092 70.049 68.868 0.149 0.000 0.976 82 T HN 0.705 nan 8.240 nan 0.000 0.459 83 T N -1.774 112.817 114.554 0.062 0.000 3.037 83 T HA 0.040 4.391 4.350 0.001 0.000 0.251 83 T C 1.486 176.047 174.700 -0.230 0.000 1.079 83 T CA 0.019 62.140 62.100 0.034 0.000 1.067 83 T CB -0.517 68.508 68.868 0.261 0.000 0.948 83 T HN 0.708 nan 8.240 nan 0.000 0.496 84 C N 1.836 120.975 119.300 -0.269 0.000 4.184 84 C HA -0.017 4.443 4.460 0.001 0.000 0.295 84 C C 1.745 176.423 174.990 -0.520 0.000 1.477 84 C CA 0.309 59.054 59.018 -0.456 0.000 2.037 84 C CB -2.976 24.215 27.740 -0.914 0.000 1.282 84 C HN 1.526 nan 8.230 nan 0.000 0.783 85 A N -1.162 121.418 122.820 -0.401 0.000 2.832 85 A HA -0.073 4.248 4.320 0.001 0.000 0.280 85 A C 0.443 177.469 177.584 -0.930 0.000 1.464 85 A CA 1.365 52.988 52.037 -0.690 0.000 0.804 85 A CB -1.476 17.226 19.000 -0.496 0.000 1.020 85 A HN 1.860 nan 8.150 nan 0.000 0.563 86 S N -1.196 114.078 115.700 -0.711 0.000 2.513 86 S HA 0.583 5.053 4.470 0.001 0.000 0.299 86 S C 1.307 175.752 174.600 -0.259 0.000 1.087 86 S CA -0.482 57.404 58.200 -0.524 0.000 1.012 86 S CB 0.822 63.675 63.200 -0.578 0.000 1.044 86 S HN 0.322 nan 8.310 nan 0.000 0.485 87 K N 2.926 123.213 120.400 -0.188 0.000 2.152 87 K HA -0.024 4.296 4.320 0.001 0.000 0.206 87 K C 1.570 178.085 176.600 -0.141 0.000 1.048 87 K CA 1.075 57.305 56.287 -0.095 0.000 0.933 87 K CB -0.294 32.063 32.500 -0.238 0.000 0.721 87 K HN 0.665 nan 8.250 nan 0.000 0.447 88 I N 0.427 120.888 120.570 -0.182 0.000 3.001 88 I HA -0.187 3.983 4.170 0.001 0.000 0.268 88 I C 0.640 176.788 176.117 0.052 0.000 1.267 88 I CA 0.620 61.864 61.300 -0.094 0.000 1.472 88 I CB 0.311 38.164 38.000 -0.246 0.000 1.089 88 I HN -0.017 nan 8.210 nan 0.000 0.468 89 L N 0.055 121.274 121.223 -0.006 0.000 3.229 89 L HA 0.189 4.530 4.340 0.001 0.000 0.286 89 L C 0.489 177.454 176.870 0.159 0.000 1.239 89 L CA -0.019 54.852 54.840 0.053 0.000 1.035 89 L CB 0.091 42.060 42.059 -0.149 0.000 1.408 89 L HN 0.136 nan 8.230 nan 0.000 0.593 90 E N -1.081 119.230 120.200 0.185 0.000 2.373 90 E HA 0.168 4.518 4.350 0.001 0.000 0.267 90 E C -0.019 176.686 176.600 0.174 0.000 1.032 90 E CA -0.147 56.372 56.400 0.200 0.000 0.889 90 E CB 0.304 30.122 29.700 0.197 0.000 0.984 90 E HN 0.186 nan 8.360 nan 0.000 0.425 91 N N 0.314 119.089 118.700 0.125 0.000 2.965 91 N HA -0.237 4.503 4.740 0.001 0.000 0.232 91 N C -0.704 174.894 175.510 0.147 0.000 0.913 91 N CA 0.980 54.095 53.050 0.109 0.000 0.981 91 N CB -1.482 37.070 38.487 0.109 0.000 1.077 91 N HN 0.607 nan 8.380 nan 0.000 0.589 92 F N 3.253 123.235 119.950 0.053 0.000 2.466 92 F HA 0.344 4.871 4.527 0.000 0.000 0.363 92 F C 0.321 176.120 175.800 -0.001 0.000 1.109 92 F CA -0.444 57.579 58.000 0.038 0.000 1.161 92 F CB 0.585 39.597 39.000 0.021 0.000 1.117 92 F HN -0.166 nan 8.300 nan 0.000 0.539 93 V N 7.211 126.778 119.914 -0.578 0.000 2.432 93 V HA 0.440 4.560 4.120 0.001 0.000 0.271 93 V C 0.567 176.121 176.094 -0.900 0.000 1.046 93 V CA -0.707 61.274 62.300 -0.532 0.000 0.945 93 V CB 0.617 32.271 31.823 -0.282 0.000 0.992 93 V HN 0.963 nan 8.190 nan 0.000 0.471 94 A N 7.516 129.956 122.820 -0.633 0.000 2.491 94 A HA 0.434 4.754 4.320 0.001 0.000 0.261 94 A C -1.478 175.920 177.584 -0.310 0.000 1.101 94 A CA -0.884 50.844 52.037 -0.514 0.000 0.772 94 A CB 0.078 18.906 19.000 -0.287 0.000 1.043 94 A HN 0.737 nan 8.150 nan 0.000 0.501 95 P HA 0.110 nan 4.420 nan 0.000 0.245 95 P C -0.612 176.794 177.300 0.175 0.000 1.206 95 P CA 0.934 64.053 63.100 0.031 0.000 0.781 95 P CB -0.123 31.667 31.700 0.151 0.000 0.994 96 Y N -3.990 116.310 120.300 0.000 0.000 2.656 96 Y HA 0.622 5.173 4.550 0.000 0.000 0.334 96 Y C -1.302 174.624 175.900 0.043 0.000 1.179 96 Y CA -2.032 56.092 58.100 0.041 0.000 1.050 96 Y CB 0.048 38.562 38.460 0.090 0.000 1.308 96 Y HN -0.402 nan 8.280 nan 0.000 0.456 97 D N 1.898 122.372 120.400 0.123 0.000 2.308 97 D HA 0.493 5.133 4.640 0.001 0.000 0.251 97 D C 0.065 176.463 176.300 0.162 0.000 1.127 97 D CA 0.198 54.230 54.000 0.054 0.000 0.876 97 D CB 1.650 42.504 40.800 0.091 0.000 1.176 97 D HN 0.929 nan 8.370 nan 0.000 0.446 98 A N 2.216 125.049 122.820 0.021 0.000 2.520 98 A HA 0.086 4.406 4.320 0.001 0.000 0.235 98 A C 1.511 179.231 177.584 0.227 0.000 1.065 98 A CA 0.065 52.193 52.037 0.152 0.000 0.764 98 A CB 0.148 19.178 19.000 0.049 0.000 1.002 98 A HN 0.593 nan 8.150 nan 0.000 0.502 99 T N 1.332 116.075 114.554 0.314 0.000 2.759 99 T HA -0.158 4.192 4.350 0.001 0.000 0.269 99 T C 1.948 176.705 174.700 0.095 0.000 1.042 99 T CA 1.920 64.122 62.100 0.170 0.000 1.140 99 T CB -0.689 68.241 68.868 0.103 0.000 0.864 99 T HN 0.880 nan 8.240 nan 0.000 0.455 100 V N 0.550 120.521 119.914 0.095 0.000 2.343 100 V HA -0.099 4.021 4.120 0.001 0.000 0.247 100 V C 2.338 178.466 176.094 0.055 0.000 1.051 100 V CA 1.194 63.535 62.300 0.069 0.000 1.036 100 V CB -0.963 30.901 31.823 0.068 0.000 0.654 100 V HN 0.339 nan 8.190 nan 0.000 0.451 101 I N 0.986 121.587 120.570 0.051 0.000 2.226 101 I HA -0.205 3.966 4.170 0.001 0.000 0.245 101 I C 2.720 178.858 176.117 0.034 0.000 1.100 101 I CA 2.262 63.581 61.300 0.031 0.000 1.374 101 I CB -1.199 36.809 38.000 0.015 0.000 1.057 101 I HN 0.570 nan 8.210 nan 0.000 0.413 102 E N 1.367 121.597 120.200 0.050 0.000 2.085 102 E HA -0.234 4.117 4.350 0.001 0.000 0.194 102 E C 2.365 178.984 176.600 0.032 0.000 0.994 102 E CA 1.438 57.864 56.400 0.043 0.000 0.801 102 E CB 0.046 29.776 29.700 0.051 0.000 0.743 102 E HN 0.391 nan 8.360 nan 0.000 0.453 103 R N -0.180 120.341 120.500 0.035 0.000 2.119 103 R HA -0.004 4.336 4.340 0.001 0.000 0.222 103 R C 2.555 178.879 176.300 0.039 0.000 1.088 103 R CA 0.798 56.918 56.100 0.034 0.000 0.984 103 R CB -0.128 30.194 30.300 0.037 0.000 0.884 103 R HN 0.258 nan 8.270 nan 0.000 0.447 104 L N 0.882 122.128 121.223 0.039 0.000 2.027 104 L HA -0.182 4.158 4.340 0.001 0.000 0.206 104 L C 2.337 179.226 176.870 0.030 0.000 1.074 104 L CA 1.509 56.371 54.840 0.036 0.000 0.745 104 L CB -0.319 41.757 42.059 0.027 0.000 0.898 104 L HN 0.092 nan 8.230 nan 0.000 0.433 105 K N -0.047 120.367 120.400 0.023 0.000 2.063 105 K HA -0.236 4.084 4.320 0.001 0.000 0.208 105 K C 2.160 178.779 176.600 0.033 0.000 1.048 105 K CA 1.245 57.545 56.287 0.021 0.000 0.928 105 K CB -0.164 32.345 32.500 0.016 0.000 0.713 105 K HN 0.164 nan 8.250 nan 0.000 0.442 106 K N 0.470 120.890 120.400 0.034 0.000 2.283 106 K HA -0.065 4.255 4.320 0.001 0.000 0.202 106 K C 1.514 178.144 176.600 0.050 0.000 1.048 106 K CA 0.912 57.222 56.287 0.038 0.000 0.948 106 K CB 0.095 32.613 32.500 0.029 0.000 0.742 106 K HN 0.102 nan 8.250 nan 0.000 0.458 107 A N -0.376 122.477 122.820 0.054 0.000 2.275 107 A HA 0.237 4.558 4.320 0.001 0.000 0.212 107 A C 1.187 178.827 177.584 0.094 0.000 1.201 107 A CA 0.797 52.875 52.037 0.069 0.000 0.843 107 A CB 0.029 19.067 19.000 0.065 0.000 0.873 107 A HN 0.428 nan 8.150 nan 0.000 0.492 108 G N -1.610 107.242 108.800 0.087 0.000 2.195 108 G HA2 0.052 4.013 3.960 0.001 0.000 0.246 108 G HA3 0.052 4.013 3.960 0.001 0.000 0.246 108 G C 0.632 175.546 174.900 0.023 0.000 0.984 108 G CA 0.301 45.461 45.100 0.100 0.000 0.633 108 G HN 1.595 nan 8.290 nan 0.000 0.525 109 A N -0.276 122.555 122.820 0.017 0.000 2.429 109 A HA 0.642 4.963 4.320 0.001 0.000 0.242 109 A C 0.338 177.897 177.584 -0.043 0.000 1.088 109 A CA 0.630 52.657 52.037 -0.017 0.000 0.784 109 A CB 0.272 19.270 19.000 -0.003 0.000 1.038 109 A HN 1.055 nan 8.150 nan 0.000 0.501 110 L N 1.506 122.688 121.223 -0.069 0.000 2.372 110 L HA 0.308 4.648 4.340 0.001 0.000 0.273 110 L C -1.110 175.697 176.870 -0.105 0.000 0.989 110 L CA -0.670 54.121 54.840 -0.082 0.000 0.841 110 L CB 1.539 43.545 42.059 -0.089 0.000 1.225 110 L HN 0.517 nan 8.230 nan 0.000 0.414 111 I N 3.994 124.505 120.570 -0.100 0.000 2.494 111 I HA -0.041 4.130 4.170 0.001 0.000 0.289 111 I C 1.160 177.158 176.117 -0.198 0.000 1.106 111 I CA 0.395 61.623 61.300 -0.121 0.000 1.369 111 I CB 1.223 39.170 38.000 -0.089 0.000 1.410 111 I HN 0.433 nan 8.210 nan 0.000 0.523 112 V N 3.573 123.319 119.914 -0.280 0.000 3.621 112 V HA 0.743 4.864 4.120 0.001 0.000 0.285 112 V C 0.711 176.400 176.094 -0.675 0.000 1.346 112 V CA 0.566 62.523 62.300 -0.573 0.000 1.104 112 V CB -0.603 30.746 31.823 -0.789 0.000 0.913 112 V HN 0.843 nan 8.190 nan 0.000 0.432 113 G N -0.072 108.579 108.800 -0.248 0.000 2.325 113 G HA2 0.407 4.368 3.960 0.001 0.000 0.297 113 G HA3 0.407 4.368 3.960 0.001 0.000 0.297 113 G C -1.944 173.009 174.900 0.089 0.000 1.448 113 G CA -0.980 44.100 45.100 -0.033 0.000 0.838 113 G HN 0.036 nan 8.290 nan 0.000 0.579 114 K N 1.326 121.798 120.400 0.118 0.000 2.307 114 K HA 0.664 4.985 4.320 0.001 0.000 0.263 114 K C 0.263 176.858 176.600 -0.008 0.000 0.973 114 K CA -0.540 55.759 56.287 0.020 0.000 0.846 114 K CB 1.481 33.989 32.500 0.014 0.000 1.100 114 K HN 0.923 nan 8.250 nan 0.000 0.438 115 T N -0.349 114.116 114.554 -0.149 0.000 2.928 115 T HA 0.310 4.660 4.350 0.001 0.000 0.284 115 T C 0.445 175.065 174.700 -0.133 0.000 1.008 115 T CA -0.747 61.187 62.100 -0.276 0.000 1.057 115 T CB 1.276 69.890 68.868 -0.423 0.000 1.018 115 T HN 0.330 nan 8.240 nan 0.000 0.493 116 N N 0.734 119.369 118.700 -0.108 0.000 2.415 116 N HA 0.534 5.274 4.740 0.001 0.000 0.248 116 N C -0.520 174.925 175.510 -0.108 0.000 1.271 116 N CA -0.505 52.483 53.050 -0.103 0.000 0.913 116 N CB -0.103 38.331 38.487 -0.088 0.000 1.129 116 N HN 0.840 nan 8.380 nan 0.000 0.444 117 L N -2.214 118.932 121.223 -0.129 0.000 2.720 117 L HA 0.596 4.936 4.340 0.001 0.000 0.261 117 L C -1.013 175.796 176.870 -0.101 0.000 1.046 117 L CA -1.195 53.590 54.840 -0.092 0.000 0.886 117 L CB 1.249 43.262 42.059 -0.077 0.000 1.493 117 L HN 0.244 nan 8.230 nan 0.000 0.407 118 D N 1.444 121.823 120.400 -0.036 0.000 2.443 118 D HA 0.006 4.646 4.640 0.001 0.000 0.239 118 D C -0.345 175.909 176.300 -0.078 0.000 1.136 118 D CA 0.348 54.349 54.000 0.002 0.000 0.879 118 D CB 1.324 42.178 40.800 0.089 0.000 1.195 118 D HN 0.635 nan 8.370 nan 0.000 0.443 119 E N 1.361 121.502 120.200 -0.099 0.000 2.493 119 E HA -0.134 4.216 4.350 0.001 0.000 0.255 119 E C -0.193 176.355 176.600 -0.087 0.000 0.999 119 E CA -0.100 56.188 56.400 -0.186 0.000 0.934 119 E CB 0.011 29.615 29.700 -0.159 0.000 0.940 119 E HN 0.305 nan 8.360 nan 0.000 0.473 120 F N 2.684 122.513 119.950 -0.202 0.000 3.084 120 F HA -0.356 4.171 4.527 0.000 0.000 0.286 120 F C 0.928 176.570 175.800 -0.264 0.000 0.855 120 F CA 1.155 59.023 58.000 -0.219 0.000 1.091 120 F CB -1.870 36.973 39.000 -0.262 0.000 1.177 120 F HN 0.729 nan 8.300 nan 0.000 0.542 121 A N -1.407 121.384 122.820 -0.048 0.000 2.945 121 A HA -0.262 4.058 4.320 0.001 0.000 0.251 121 A C 0.616 178.132 177.584 -0.113 0.000 1.355 121 A CA 1.353 53.380 52.037 -0.016 0.000 0.905 121 A CB -1.935 17.137 19.000 0.120 0.000 1.104 121 A HN 0.496 nan 8.150 nan 0.000 0.733 122 M N -0.132 119.346 119.600 -0.203 0.000 2.036 122 M HA 0.551 5.031 4.480 0.001 0.000 0.337 122 M C 0.549 176.875 176.300 0.043 0.000 1.012 122 M CA 0.739 55.909 55.300 -0.216 0.000 0.962 122 M CB 1.331 33.671 32.600 -0.433 0.000 1.423 122 M HN 1.388 nan 8.290 nan 0.000 0.405 123 G N 0.448 109.359 108.800 0.185 0.000 2.352 123 G HA2 0.140 4.100 3.960 0.001 0.000 0.302 123 G HA3 0.140 4.100 3.960 0.001 0.000 0.302 123 G C -0.806 174.229 174.900 0.225 0.000 1.370 123 G CA -0.782 44.489 45.100 0.285 0.000 0.918 123 G HN 0.376 nan 8.290 nan 0.000 0.610 124 S N -0.558 115.269 115.700 0.212 0.000 2.754 124 S HA 0.441 4.911 4.470 0.001 0.000 0.247 124 S C 1.238 175.905 174.600 0.111 0.000 1.031 124 S CA 0.683 58.968 58.200 0.142 0.000 1.014 124 S CB 0.385 63.675 63.200 0.150 0.000 0.918 124 S HN 1.734 nan 8.310 nan 0.000 0.519 125 S N -0.631 115.114 115.700 0.076 0.000 2.483 125 S HA 0.111 4.581 4.470 0.001 0.000 0.280 125 S C 0.676 175.251 174.600 -0.043 0.000 1.059 125 S CA 0.686 58.874 58.200 -0.020 0.000 1.359 125 S CB 0.062 63.257 63.200 -0.008 0.000 1.171 125 S HN 0.157 nan 8.310 nan 0.000 0.625 126 T N 1.692 116.250 114.554 0.006 0.000 7.013 126 T HA -0.201 4.150 4.350 0.001 0.000 0.288 126 T C 0.752 175.452 174.700 0.001 0.000 2.146 126 T CA 1.619 63.724 62.100 0.009 0.000 3.498 126 T CB -2.014 66.861 68.868 0.012 0.000 1.517 126 T HN 0.656 nan 8.240 nan 0.000 1.113 127 E N -0.123 120.048 120.200 -0.048 0.000 2.267 127 E HA -0.126 4.225 4.350 0.001 0.000 0.197 127 E C 1.057 177.559 176.600 -0.163 0.000 0.998 127 E CA 1.275 57.615 56.400 -0.099 0.000 0.830 127 E CB -0.164 29.412 29.700 -0.207 0.000 0.751 127 E HN 0.682 nan 8.360 nan 0.000 0.491 128 Y N 0.377 120.675 120.300 -0.005 0.000 2.461 128 Y HA 0.125 4.676 4.550 0.000 0.000 0.277 128 Y C 0.938 176.761 175.900 -0.128 0.000 1.182 128 Y CA -0.353 57.719 58.100 -0.048 0.000 1.276 128 Y CB 0.088 38.528 38.460 -0.035 0.000 1.087 128 Y HN -0.195 nan 8.280 nan 0.000 0.519 129 S N 0.778 116.450 115.700 -0.046 0.000 2.575 129 S HA 0.124 4.594 4.470 0.001 0.000 0.295 129 S C 1.538 175.977 174.600 -0.269 0.000 1.267 129 S CA 0.215 58.272 58.200 -0.240 0.000 1.074 129 S CB 0.581 63.612 63.200 -0.281 0.000 0.829 129 S HN 0.482 nan 8.310 nan 0.000 0.497 130 A N 5.170 127.689 122.820 -0.502 0.000 2.216 130 A HA 0.147 4.467 4.320 0.001 0.000 0.214 130 A C 1.112 178.580 177.584 -0.193 0.000 1.160 130 A CA 0.867 52.663 52.037 -0.402 0.000 0.725 130 A CB -0.412 18.277 19.000 -0.518 0.000 0.784 130 A HN 0.814 nan 8.150 nan 0.000 0.472 131 F N -1.222 118.636 119.950 -0.154 0.000 2.399 131 F HA 0.399 4.927 4.527 0.000 0.000 0.282 131 F C 0.451 176.291 175.800 0.066 0.000 1.027 131 F CA -0.528 57.404 58.000 -0.112 0.000 1.333 131 F CB -0.304 38.494 39.000 -0.337 0.000 1.132 131 F HN 0.247 nan 8.300 nan 0.000 0.590 132 F N -2.798 117.270 119.950 0.197 0.000 2.746 132 F HA 0.564 5.091 4.527 0.000 0.000 0.311 132 F C -3.381 172.465 175.800 0.077 0.000 1.135 132 F CA -2.698 55.364 58.000 0.103 0.000 0.954 132 F CB 0.388 39.442 39.000 0.090 0.000 1.276 132 F HN -0.347 nan 8.300 nan 0.000 0.440 133 P HA 0.188 nan 4.420 nan 0.000 0.276 133 P C -0.489 176.997 177.300 0.309 0.000 1.230 133 P CA 0.103 63.337 63.100 0.224 0.000 0.776 133 P CB 1.388 33.182 31.700 0.156 0.000 0.888 134 T N 3.566 118.281 114.554 0.268 0.000 2.910 134 T HA 0.241 4.592 4.350 0.001 0.000 0.293 134 T C 0.341 175.226 174.700 0.308 0.000 1.015 134 T CA -0.327 61.923 62.100 0.251 0.000 1.094 134 T CB 0.566 69.528 68.868 0.158 0.000 0.968 134 T HN 0.276 nan 8.240 nan 0.000 0.521 135 K N 2.388 122.938 120.400 0.251 0.000 2.203 135 K HA 0.310 4.631 4.320 0.001 0.000 0.251 135 K C -0.133 176.585 176.600 0.197 0.000 0.944 135 K CA -0.999 55.484 56.287 0.327 0.000 0.829 135 K CB 1.203 33.809 32.500 0.175 0.000 1.125 135 K HN 0.377 nan 8.250 nan 0.000 0.430 136 N N 3.905 122.717 118.700 0.187 0.000 2.438 136 N HA 0.009 4.749 4.740 0.001 0.000 0.267 136 N C -1.685 173.897 175.510 0.119 0.000 1.222 136 N CA -1.452 51.680 53.050 0.136 0.000 0.930 136 N CB 0.799 39.343 38.487 0.096 0.000 1.083 136 N HN 0.320 nan 8.380 nan 0.000 0.476 137 P HA -0.088 nan 4.420 nan 0.000 0.228 137 P C 0.551 177.741 177.300 -0.183 0.000 1.151 137 P CA 1.135 64.177 63.100 -0.096 0.000 0.770 137 P CB -0.023 31.561 31.700 -0.194 0.000 0.786 138 W N -0.062 121.312 121.300 0.124 0.000 3.114 138 W HA 0.173 4.834 4.660 0.000 0.000 0.279 138 W C 0.186 176.765 176.519 0.100 0.000 1.277 138 W CA 0.029 57.465 57.345 0.152 0.000 1.630 138 W CB 0.467 30.079 29.460 0.254 0.000 1.087 138 W HN -0.098 nan 8.180 nan 0.000 0.637 139 D N -0.471 120.078 120.400 0.249 0.000 2.251 139 D HA 0.031 4.672 4.640 0.001 0.000 0.210 139 D C 0.062 176.444 176.300 0.137 0.000 1.304 139 D CA -0.214 53.883 54.000 0.161 0.000 0.912 139 D CB 0.277 41.164 40.800 0.145 0.000 1.553 139 D HN -0.017 nan 8.370 nan 0.000 0.526 140 L N 2.259 123.548 121.223 0.111 0.000 2.633 140 L HA 0.119 4.459 4.340 0.001 0.000 0.235 140 L C 1.689 178.669 176.870 0.183 0.000 1.163 140 L CA 0.541 55.457 54.840 0.127 0.000 0.859 140 L CB -0.147 41.940 42.059 0.046 0.000 0.973 140 L HN 0.383 nan 8.230 nan 0.000 0.451 141 E N 0.439 120.742 120.200 0.172 0.000 2.481 141 E HA 0.051 4.401 4.350 0.001 0.000 0.195 141 E C 0.492 177.290 176.600 0.331 0.000 1.047 141 E CA 0.169 56.702 56.400 0.222 0.000 0.867 141 E CB 0.329 30.103 29.700 0.123 0.000 0.858 141 E HN 0.479 nan 8.360 nan 0.000 0.513 142 R N 0.255 120.885 120.500 0.218 0.000 2.832 142 R HA 0.397 4.738 4.340 0.001 0.000 0.271 142 R C -0.694 175.389 176.300 -0.362 0.000 0.996 142 R CA -0.727 55.301 56.100 -0.121 0.000 0.977 142 R CB 2.197 32.409 30.300 -0.147 0.000 1.168 142 R HN -0.131 nan 8.270 nan 0.000 0.482 143 V N 3.483 122.913 119.914 -0.806 0.000 2.686 143 V HA 0.115 4.236 4.120 0.001 0.000 0.295 143 V C -1.467 174.468 176.094 -0.265 0.000 1.055 143 V CA -1.038 60.776 62.300 -0.811 0.000 1.050 143 V CB 1.557 32.750 31.823 -1.050 0.000 0.984 143 V HN 0.781 nan 8.190 nan 0.000 0.482 144 P HA 0.203 nan 4.420 nan 0.000 0.249 144 P C 0.571 177.954 177.300 0.138 0.000 1.229 144 P CA 0.952 64.102 63.100 0.084 0.000 0.788 144 P CB 0.194 31.932 31.700 0.064 0.000 1.072 145 G N -1.072 107.774 108.800 0.077 0.000 2.710 145 G HA2 0.260 4.221 3.960 0.001 0.000 0.668 145 G HA3 0.260 4.221 3.960 0.001 0.000 0.668 145 G C -0.469 174.391 174.900 -0.066 0.000 1.320 145 G CA -0.666 44.361 45.100 -0.120 0.000 0.860 145 G HN 0.546 nan 8.290 nan 0.000 0.538 146 G N -2.129 106.635 108.800 -0.061 0.000 2.660 146 G HA2 0.779 4.739 3.960 0.001 0.000 0.290 146 G HA3 0.779 4.739 3.960 0.001 0.000 0.290 146 G C 0.756 175.684 174.900 0.046 0.000 1.432 146 G CA 0.839 45.948 45.100 0.015 0.000 0.807 146 G HN 2.067 nan 8.290 nan 0.000 0.485 147 S N -1.157 114.594 115.700 0.086 0.000 2.478 147 S HA 0.037 4.507 4.470 0.001 0.000 0.222 147 S C 1.466 176.097 174.600 0.051 0.000 1.008 147 S CA 1.006 59.249 58.200 0.073 0.000 0.928 147 S CB 0.079 63.330 63.200 0.085 0.000 0.781 147 S HN 0.459 nan 8.310 nan 0.000 0.518 148 S N 2.332 118.087 115.700 0.091 0.000 3.361 148 S HA 0.275 4.745 4.470 0.001 0.000 0.246 148 S C 1.625 176.197 174.600 -0.048 0.000 1.237 148 S CA 0.157 58.401 58.200 0.072 0.000 1.240 148 S CB -0.778 62.582 63.200 0.267 0.000 1.154 148 S HN 0.697 nan 8.310 nan 0.000 0.461 149 G N 2.605 111.379 108.800 -0.044 0.000 2.514 149 G HA2 -0.198 3.762 3.960 0.001 0.000 0.217 149 G HA3 -0.198 3.762 3.960 0.001 0.000 0.217 149 G C 1.437 176.268 174.900 -0.115 0.000 1.198 149 G CA 0.727 45.791 45.100 -0.059 0.000 0.780 149 G HN 0.614 nan 8.290 nan 0.000 0.565 150 G N 0.007 108.733 108.800 -0.122 0.000 2.432 150 G HA2 -0.076 3.885 3.960 0.001 0.000 0.219 150 G HA3 -0.076 3.885 3.960 0.001 0.000 0.219 150 G C 2.085 176.810 174.900 -0.293 0.000 1.135 150 G CA 1.388 46.388 45.100 -0.168 0.000 0.767 150 G HN 0.442 nan 8.290 nan 0.000 0.550 151 S N 0.495 115.981 115.700 -0.357 0.000 2.436 151 S HA 0.177 4.647 4.470 0.001 0.000 0.228 151 S C 2.675 176.815 174.600 -0.767 0.000 1.014 151 S CA 0.870 58.783 58.200 -0.479 0.000 0.950 151 S CB -0.074 62.903 63.200 -0.371 0.000 0.784 151 S HN 0.565 nan 8.310 nan 0.000 0.504 152 A N 1.797 124.084 122.820 -0.889 0.000 1.840 152 A HA 0.275 4.595 4.320 0.001 0.000 0.214 152 A C 2.369 179.810 177.584 -0.238 0.000 1.198 152 A CA 1.418 53.002 52.037 -0.754 0.000 0.608 152 A CB -1.289 17.457 19.000 -0.424 0.000 0.839 152 A HN 0.472 nan 8.150 nan 0.000 0.443 153 A N 0.378 123.114 122.820 -0.140 0.000 1.892 153 A HA -0.194 4.126 4.320 0.001 0.000 0.218 153 A C 2.572 180.162 177.584 0.009 0.000 1.188 153 A CA 2.882 54.910 52.037 -0.015 0.000 0.631 153 A CB -1.144 17.860 19.000 0.008 0.000 0.822 153 A HN 1.112 nan 8.150 nan 0.000 0.447 154 S N -0.868 114.816 115.700 -0.026 0.000 2.423 154 S HA -0.068 4.403 4.470 0.001 0.000 0.231 154 S C 1.696 176.358 174.600 0.104 0.000 1.014 154 S CA 1.394 59.640 58.200 0.077 0.000 0.965 154 S CB -0.536 62.699 63.200 0.059 0.000 0.785 154 S HN 0.246 nan 8.310 nan 0.000 0.495 155 V N 1.790 121.731 119.914 0.046 0.000 2.719 155 V HA 0.077 4.197 4.120 0.001 0.000 0.252 155 V C 3.038 179.251 176.094 0.199 0.000 1.065 155 V CA 1.250 63.628 62.300 0.130 0.000 1.086 155 V CB -1.116 30.779 31.823 0.120 0.000 0.700 155 V HN 0.665 nan 8.190 nan 0.000 0.467 156 A N 0.720 123.644 122.820 0.173 0.000 1.873 156 A HA -0.141 4.179 4.320 0.001 0.000 0.215 156 A C 2.273 179.953 177.584 0.160 0.000 1.186 156 A CA 2.072 54.252 52.037 0.238 0.000 0.616 156 A CB -0.668 18.484 19.000 0.253 0.000 0.823 156 A HN 0.640 nan 8.150 nan 0.000 0.442 157 V N -3.544 116.413 119.914 0.072 0.000 3.217 157 V HA 0.200 4.320 4.120 0.001 0.000 0.264 157 V C 1.064 177.181 176.094 0.038 0.000 1.135 157 V CA 1.014 63.309 62.300 -0.008 0.000 1.142 157 V CB -0.979 30.807 31.823 -0.061 0.000 0.754 157 V HN 0.483 nan 8.190 nan 0.000 0.484 158 L N 0.803 122.134 121.223 0.180 0.000 3.898 158 L HA -0.227 4.113 4.340 0.001 0.000 0.407 158 L C 1.694 178.765 176.870 0.334 0.000 1.207 158 L CA 0.551 55.590 54.840 0.332 0.000 0.931 158 L CB -2.363 40.004 42.059 0.513 0.000 2.014 158 L HN 0.648 nan 8.230 nan 0.000 0.858 159 S N -1.857 113.991 115.700 0.247 0.000 2.515 159 S HA 0.408 4.878 4.470 0.001 0.000 0.231 159 S C 0.812 175.708 174.600 0.492 0.000 0.987 159 S CA 0.489 58.913 58.200 0.373 0.000 0.936 159 S CB 0.288 63.733 63.200 0.410 0.000 0.766 159 S HN 0.769 nan 8.310 nan 0.000 0.528 160 A N 1.275 124.285 122.820 0.318 0.000 2.549 160 A HA 0.710 5.030 4.320 0.001 0.000 0.297 160 A C -2.526 175.070 177.584 0.020 0.000 1.061 160 A CA -1.575 50.456 52.037 -0.009 0.000 0.690 160 A CB 1.199 20.219 19.000 0.033 0.000 1.287 160 A HN 0.062 nan 8.150 nan 0.000 0.402 161 P HA 0.105 nan 4.420 nan 0.000 0.221 161 P C 0.359 177.723 177.300 0.107 0.000 1.155 161 P CA 0.778 63.933 63.100 0.091 0.000 0.812 161 P CB 0.404 32.132 31.700 0.045 0.000 0.801 162 V N -1.646 118.291 119.914 0.038 0.000 3.114 162 V HA 0.666 4.786 4.120 0.001 0.000 0.308 162 V C -1.379 174.757 176.094 0.069 0.000 1.168 162 V CA -0.669 61.683 62.300 0.087 0.000 1.015 162 V CB 2.370 34.238 31.823 0.075 0.000 1.050 162 V HN 0.071 nan 8.190 nan 0.000 0.433 163 S N 3.450 119.230 115.700 0.133 0.000 2.550 163 S HA 0.778 5.248 4.470 0.001 0.000 0.270 163 S C -2.170 172.556 174.600 0.211 0.000 1.145 163 S CA -0.456 57.821 58.200 0.128 0.000 0.852 163 S CB 1.655 64.905 63.200 0.082 0.000 1.119 163 S HN 0.599 nan 8.310 nan 0.000 0.465 164 L N 3.096 124.409 121.223 0.150 0.000 2.307 164 L HA 0.863 5.204 4.340 0.001 0.000 0.284 164 L C 0.789 177.784 176.870 0.209 0.000 1.023 164 L CA 0.355 55.289 54.840 0.157 0.000 0.810 164 L CB 1.235 43.342 42.059 0.081 0.000 1.231 164 L HN 0.912 nan 8.230 nan 0.000 0.423 165 G N 0.779 109.738 108.800 0.264 0.000 3.105 165 G HA2 0.759 4.719 3.960 0.001 0.000 0.277 165 G HA3 0.759 4.719 3.960 0.001 0.000 0.277 165 G C -1.335 173.649 174.900 0.141 0.000 1.375 165 G CA -0.233 45.036 45.100 0.281 0.000 0.962 165 G HN 0.623 nan 8.290 nan 0.000 0.541 166 S N -1.053 114.727 115.700 0.134 0.000 2.570 166 S HA 0.680 5.151 4.470 0.001 0.000 0.286 166 S C -1.862 172.795 174.600 0.095 0.000 1.099 166 S CA -0.718 57.542 58.200 0.100 0.000 0.913 166 S CB 2.725 65.995 63.200 0.118 0.000 1.085 166 S HN 0.491 nan 8.310 nan 0.000 0.480 167 D N 0.734 121.176 120.400 0.070 0.000 2.473 167 D HA 0.423 5.063 4.640 0.001 0.000 0.253 167 D C 0.019 176.364 176.300 0.076 0.000 1.233 167 D CA -0.292 53.740 54.000 0.053 0.000 0.908 167 D CB 2.138 42.929 40.800 -0.016 0.000 1.170 167 D HN 0.621 nan 8.370 nan 0.000 0.558 168 T N 1.061 115.684 114.554 0.116 0.000 3.042 168 T HA 0.226 4.576 4.350 0.001 0.000 0.245 168 T C 1.179 175.971 174.700 0.153 0.000 1.029 168 T CA 0.206 62.361 62.100 0.090 0.000 1.120 168 T CB 0.720 69.630 68.868 0.069 0.000 0.917 168 T HN 0.467 nan 8.240 nan 0.000 0.467 169 G N -0.279 108.571 108.800 0.084 0.000 5.084 169 G HA2 0.482 4.442 3.960 0.001 0.000 0.241 169 G HA3 0.482 4.442 3.960 0.001 0.000 0.241 169 G C 0.677 175.443 174.900 -0.223 0.000 0.918 169 G CA 0.072 45.020 45.100 -0.254 0.000 0.754 169 G HN 0.628 nan 8.290 nan 0.000 0.478 170 G N -0.325 108.416 108.800 -0.099 0.000 2.183 170 G HA2 -0.213 3.747 3.960 0.001 0.000 0.168 170 G HA3 -0.213 3.747 3.960 0.001 0.000 0.168 170 G C 1.162 176.033 174.900 -0.049 0.000 1.008 170 G CA 0.465 45.507 45.100 -0.096 0.000 0.677 170 G HN 0.438 nan 8.290 nan 0.000 0.498 171 S N -0.349 115.358 115.700 0.013 0.000 2.555 171 S HA 0.227 4.698 4.470 0.001 0.000 0.230 171 S C 2.095 176.755 174.600 0.100 0.000 0.978 171 S CA 1.101 59.342 58.200 0.067 0.000 0.934 171 S CB 0.000 63.277 63.200 0.127 0.000 0.766 171 S HN 0.523 nan 8.310 nan 0.000 0.533 172 I N 0.355 120.926 120.570 0.002 0.000 2.685 172 I HA 0.050 4.221 4.170 0.001 0.000 0.251 172 I C 2.357 178.398 176.117 -0.127 0.000 1.102 172 I CA 0.424 61.643 61.300 -0.135 0.000 1.442 172 I CB -0.008 37.753 38.000 -0.399 0.000 1.194 172 I HN 0.036 nan 8.210 nan 0.000 0.448 173 R N 0.350 120.765 120.500 -0.140 0.000 2.083 173 R HA -0.218 4.123 4.340 0.001 0.000 0.237 173 R C 2.273 178.516 176.300 -0.094 0.000 1.137 173 R CA 1.461 57.486 56.100 -0.125 0.000 0.951 173 R CB -0.434 29.788 30.300 -0.130 0.000 0.851 173 R HN 0.379 nan 8.270 nan 0.000 0.434 174 Q N 0.613 120.336 119.800 -0.129 0.000 2.079 174 Q HA -0.076 4.264 4.340 0.001 0.000 0.200 174 Q C -0.886 174.945 176.000 -0.281 0.000 0.974 174 Q CA 1.370 57.018 55.803 -0.258 0.000 0.840 174 Q CB -0.740 27.801 28.738 -0.327 0.000 0.898 174 Q HN 0.168 nan 8.270 nan 0.000 0.430 175 P HA -0.145 nan 4.420 nan 0.000 0.215 175 P C 0.945 178.368 177.300 0.204 0.000 1.157 175 P CA 2.369 65.507 63.100 0.065 0.000 0.874 175 P CB -0.333 31.499 31.700 0.221 0.000 0.790 176 A N -0.925 122.079 122.820 0.307 0.000 1.933 176 A HA -0.208 4.112 4.320 0.001 0.000 0.218 176 A C 2.493 180.154 177.584 0.129 0.000 1.175 176 A CA 2.251 54.458 52.037 0.284 0.000 0.628 176 A CB -1.639 17.460 19.000 0.165 0.000 0.814 176 A HN 0.209 nan 8.150 nan 0.000 0.444 177 S N -1.267 114.466 115.700 0.055 0.000 2.345 177 S HA -0.104 4.367 4.470 0.001 0.000 0.220 177 S C 1.743 176.434 174.600 0.152 0.000 1.031 177 S CA 1.425 59.646 58.200 0.035 0.000 0.996 177 S CB -0.518 62.684 63.200 0.003 0.000 0.882 177 S HN 0.415 nan 8.310 nan 0.000 0.445 178 F N 1.457 121.370 119.950 -0.061 0.000 2.202 178 F HA -0.018 4.510 4.527 0.000 0.000 0.301 178 F C 2.419 178.211 175.800 -0.014 0.000 1.082 178 F CA 0.009 57.967 58.000 -0.070 0.000 1.313 178 F CB -1.107 37.849 39.000 -0.073 0.000 1.024 178 F HN 0.322 nan 8.300 nan 0.000 0.495 179 C N -0.707 118.744 119.300 0.251 0.000 2.906 179 C HA 0.506 4.966 4.460 0.001 0.000 0.274 179 C C 1.609 176.803 174.990 0.340 0.000 1.257 179 C CA 0.229 59.435 59.018 0.314 0.000 1.695 179 C CB -0.991 26.900 27.740 0.252 0.000 1.958 179 C HN 0.692 nan 8.230 nan 0.000 0.619 180 G N 1.363 110.225 108.800 0.103 0.000 2.298 180 G HA2 -0.135 3.826 3.960 0.001 0.000 0.287 180 G HA3 -0.135 3.826 3.960 0.001 0.000 0.287 180 G C -0.339 174.717 174.900 0.261 0.000 1.075 180 G CA 0.570 45.672 45.100 0.003 0.000 0.960 180 G HN 0.511 nan 8.290 nan 0.000 0.502 181 V N 0.014 120.058 119.914 0.216 0.000 3.159 181 V HA 0.683 4.803 4.120 0.001 0.000 0.308 181 V C 0.384 176.595 176.094 0.195 0.000 1.190 181 V CA -1.262 61.209 62.300 0.285 0.000 1.037 181 V CB 2.097 34.130 31.823 0.350 0.000 1.060 181 V HN 0.343 nan 8.190 nan 0.000 0.437 182 I N 2.795 123.497 120.570 0.220 0.000 2.441 182 I HA 0.546 4.716 4.170 0.001 0.000 0.287 182 I C 0.648 176.822 176.117 0.096 0.000 1.049 182 I CA 0.425 61.809 61.300 0.141 0.000 1.381 182 I CB 1.169 39.288 38.000 0.198 0.000 1.409 182 I HN 0.716 nan 8.210 nan 0.000 0.523 183 G N 7.122 115.889 108.800 -0.055 0.000 2.732 183 G HA2 0.609 4.569 3.960 0.001 0.000 0.295 183 G HA3 0.609 4.569 3.960 0.001 0.000 0.295 183 G C -1.509 173.226 174.900 -0.276 0.000 1.456 183 G CA -0.351 44.560 45.100 -0.314 0.000 1.050 183 G HN 0.543 nan 8.290 nan 0.000 0.525 184 I N 1.532 121.927 120.570 -0.290 0.000 2.474 184 I HA 0.606 4.776 4.170 0.001 0.000 0.294 184 I C -0.469 175.516 176.117 -0.220 0.000 1.005 184 I CA -1.142 60.029 61.300 -0.216 0.000 1.113 184 I CB 1.883 39.771 38.000 -0.186 0.000 1.289 184 I HN 0.356 nan 8.210 nan 0.000 0.436 185 K N 9.500 129.797 120.400 -0.170 0.000 2.339 185 K HA 0.559 4.879 4.320 0.001 0.000 0.264 185 K C -2.757 173.779 176.600 -0.107 0.000 0.986 185 K CA -1.780 54.433 56.287 -0.124 0.000 0.866 185 K CB 1.633 34.075 32.500 -0.097 0.000 1.103 185 K HN 0.272 nan 8.250 nan 0.000 0.441 186 P HA 0.055 nan 4.420 nan 0.000 0.277 186 P C -0.541 176.723 177.300 -0.059 0.000 1.276 186 P CA -0.292 62.761 63.100 -0.079 0.000 0.788 186 P CB 0.218 31.902 31.700 -0.027 0.000 1.114 187 T N -0.024 114.482 114.554 -0.080 0.000 2.934 187 T HA -0.072 4.278 4.350 0.001 0.000 0.306 187 T C 0.116 174.761 174.700 -0.092 0.000 1.042 187 T CA 0.438 62.415 62.100 -0.205 0.000 1.145 187 T CB -0.594 67.895 68.868 -0.631 0.000 0.982 187 T HN 0.230 nan 8.240 nan 0.000 0.544 188 Y N 2.132 122.337 120.300 -0.158 0.000 2.729 188 Y HA 0.290 4.840 4.550 0.000 0.000 0.331 188 Y C 1.337 177.263 175.900 0.043 0.000 1.208 188 Y CA 1.388 59.458 58.100 -0.050 0.000 1.521 188 Y CB -0.392 38.038 38.460 -0.049 0.000 1.233 188 Y HN 0.951 nan 8.280 nan 0.000 0.539 189 G N 4.536 113.114 108.800 -0.371 0.000 2.218 189 G HA2 -0.303 3.657 3.960 0.001 0.000 0.216 189 G HA3 -0.303 3.657 3.960 0.001 0.000 0.216 189 G C 1.215 176.239 174.900 0.207 0.000 0.994 189 G CA 0.318 45.391 45.100 -0.044 0.000 0.637 189 G HN 0.662 nan 8.290 nan 0.000 0.505 190 R N -0.038 120.613 120.500 0.252 0.000 2.153 190 R HA 0.373 4.713 4.340 0.001 0.000 0.218 190 R C 0.501 176.922 176.300 0.203 0.000 1.072 190 R CA 1.478 57.783 56.100 0.342 0.000 0.990 190 R CB 0.091 30.633 30.300 0.403 0.000 0.889 190 R HN 0.288 nan 8.270 nan 0.000 0.452 191 V N 0.608 120.583 119.914 0.102 0.000 2.540 191 V HA 0.185 4.306 4.120 0.001 0.000 0.302 191 V C -0.291 175.822 176.094 0.031 0.000 1.035 191 V CA -0.871 61.476 62.300 0.079 0.000 0.873 191 V CB 1.636 33.502 31.823 0.072 0.000 0.992 191 V HN 0.201 nan 8.190 nan 0.000 0.428 192 S N 4.151 119.880 115.700 0.048 0.000 2.568 192 S HA 0.158 4.628 4.470 0.001 0.000 0.282 192 S C 0.926 175.566 174.600 0.067 0.000 1.338 192 S CA 0.024 58.252 58.200 0.047 0.000 1.045 192 S CB 0.320 63.549 63.200 0.048 0.000 0.873 192 S HN 0.701 nan 8.310 nan 0.000 0.516 193 R N 2.128 122.674 120.500 0.077 0.000 2.393 193 R HA 0.079 4.419 4.340 0.001 0.000 0.244 193 R C -0.561 175.827 176.300 0.146 0.000 0.920 193 R CA -0.138 56.018 56.100 0.093 0.000 1.076 193 R CB 0.044 30.386 30.300 0.070 0.000 1.119 193 R HN 0.736 nan 8.270 nan 0.000 0.524 194 Y N 1.041 121.377 120.300 0.061 0.000 2.537 194 Y HA 0.142 4.693 4.550 0.001 0.000 0.339 194 Y C 1.232 177.235 175.900 0.172 0.000 1.066 194 Y CA 1.175 59.337 58.100 0.103 0.000 1.357 194 Y CB 0.518 39.012 38.460 0.057 0.000 1.175 194 Y HN 0.423 nan 8.280 nan 0.000 0.525 195 G N 4.458 113.185 108.800 -0.121 0.000 2.175 195 G HA2 -0.295 3.665 3.960 0.001 0.000 0.244 195 G HA3 -0.295 3.665 3.960 0.001 0.000 0.244 195 G C -0.636 174.263 174.900 -0.002 0.000 0.982 195 G CA 0.009 45.092 45.100 -0.029 0.000 0.641 195 G HN 0.820 nan 8.290 nan 0.000 0.527 196 L N 1.840 123.091 121.223 0.046 0.000 2.257 196 L HA 0.738 5.078 4.340 0.001 0.000 0.290 196 L C 0.563 177.490 176.870 0.096 0.000 1.044 196 L CA -0.925 53.958 54.840 0.070 0.000 0.810 196 L CB 1.628 43.740 42.059 0.089 0.000 1.193 196 L HN 0.107 nan 8.230 nan 0.000 0.425 197 V N 6.146 126.127 119.914 0.111 0.000 2.452 197 V HA 0.167 4.287 4.120 0.001 0.000 0.286 197 V C 1.174 177.396 176.094 0.214 0.000 0.995 197 V CA 0.348 62.756 62.300 0.180 0.000 1.116 197 V CB -0.220 31.737 31.823 0.222 0.000 0.954 197 V HN 0.997 nan 8.190 nan 0.000 0.473 198 A N 5.887 128.824 122.820 0.194 0.000 2.488 198 A HA 0.390 4.711 4.320 0.001 0.000 0.249 198 A C 0.327 178.059 177.584 0.246 0.000 1.083 198 A CA -0.063 52.087 52.037 0.188 0.000 0.768 198 A CB 0.093 19.170 19.000 0.129 0.000 1.017 198 A HN 0.803 nan 8.150 nan 0.000 0.496 199 F N 2.704 122.690 119.950 0.060 0.000 2.484 199 F HA 0.584 5.111 4.527 0.001 0.000 0.268 199 F C 0.855 176.644 175.800 -0.017 0.000 0.965 199 F CA 0.113 58.122 58.000 0.015 0.000 1.119 199 F CB -0.364 38.666 39.000 0.050 0.000 1.153 199 F HN 0.586 nan 8.300 nan 0.000 0.689 200 A N 0.470 123.120 122.820 -0.284 0.000 2.409 200 A HA 0.552 4.872 4.320 0.001 0.000 0.300 200 A C 0.778 178.278 177.584 -0.140 0.000 1.273 200 A CA 0.092 51.919 52.037 -0.350 0.000 0.774 200 A CB 0.414 18.983 19.000 -0.718 0.000 1.144 200 A HN 0.334 nan 8.150 nan 0.000 0.472 201 S N 1.127 116.814 115.700 -0.022 0.000 2.387 201 S HA -0.188 4.283 4.470 0.001 0.000 0.230 201 S C 2.200 176.872 174.600 0.120 0.000 1.035 201 S CA 2.167 60.412 58.200 0.076 0.000 1.014 201 S CB -0.117 63.132 63.200 0.081 0.000 0.836 201 S HN 1.209 nan 8.310 nan 0.000 0.466 202 S N 0.253 115.934 115.700 -0.032 0.000 2.562 202 S HA 0.226 4.696 4.470 0.001 0.000 0.221 202 S C 1.302 175.649 174.600 -0.422 0.000 0.975 202 S CA 0.226 58.296 58.200 -0.217 0.000 0.918 202 S CB -0.194 62.892 63.200 -0.190 0.000 0.772 202 S HN 0.452 nan 8.310 nan 0.000 0.531 203 L N -0.143 120.972 121.223 -0.180 0.000 2.766 203 L HA 0.359 4.700 4.340 0.001 0.000 0.241 203 L C -0.365 176.550 176.870 0.075 0.000 1.080 203 L CA -0.276 54.486 54.840 -0.130 0.000 0.909 203 L CB -0.150 41.784 42.059 -0.207 0.000 1.277 203 L HN 0.094 nan 8.230 nan 0.000 0.510 204 D N 2.359 122.826 120.400 0.113 0.000 2.488 204 D HA 0.186 4.827 4.640 0.001 0.000 0.238 204 D C 0.004 176.409 176.300 0.174 0.000 1.138 204 D CA 0.850 54.928 54.000 0.131 0.000 0.873 204 D CB 0.655 41.529 40.800 0.124 0.000 1.183 204 D HN 0.005 nan 8.370 nan 0.000 0.458 205 Q N 1.250 121.113 119.800 0.105 0.000 2.309 205 Q HA 0.352 4.693 4.340 0.001 0.000 0.273 205 Q C -0.229 175.796 176.000 0.043 0.000 1.040 205 Q CA -0.669 55.164 55.803 0.051 0.000 0.834 205 Q CB 2.328 31.085 28.738 0.032 0.000 1.345 205 Q HN 0.417 nan 8.270 nan 0.000 0.414 206 I N 1.067 121.660 120.570 0.039 0.000 2.692 206 I HA 0.346 4.517 4.170 0.001 0.000 0.284 206 I C 0.961 177.084 176.117 0.011 0.000 1.159 206 I CA 0.684 62.008 61.300 0.040 0.000 1.423 206 I CB 0.718 38.749 38.000 0.052 0.000 1.380 206 I HN 0.689 nan 8.210 nan 0.000 0.580 207 G N 4.500 113.294 108.800 -0.011 0.000 2.921 207 G HA2 0.694 4.654 3.960 0.001 0.000 0.291 207 G HA3 0.694 4.654 3.960 0.001 0.000 0.291 207 G C -1.623 173.231 174.900 -0.077 0.000 1.370 207 G CA -0.422 44.634 45.100 -0.073 0.000 0.847 207 G HN 0.364 nan 8.290 nan 0.000 0.532 208 V N 0.021 119.844 119.914 -0.151 0.000 2.656 208 V HA 0.604 4.725 4.120 0.001 0.000 0.307 208 V C -1.253 174.735 176.094 -0.176 0.000 1.051 208 V CA -0.573 61.685 62.300 -0.069 0.000 0.893 208 V CB 1.516 33.327 31.823 -0.020 0.000 0.999 208 V HN 0.541 nan 8.190 nan 0.000 0.426 209 F N 2.014 121.984 119.950 0.034 0.000 2.443 209 F HA 0.883 5.411 4.527 0.001 0.000 0.335 209 F C 0.817 176.665 175.800 0.080 0.000 1.104 209 F CA -0.118 57.916 58.000 0.056 0.000 1.013 209 F CB 2.263 41.296 39.000 0.056 0.000 1.136 209 F HN 0.691 nan 8.300 nan 0.000 0.470 210 G N 1.766 110.746 108.800 0.301 0.000 2.663 210 G HA2 0.448 4.409 3.960 0.001 0.000 0.299 210 G HA3 0.448 4.409 3.960 0.001 0.000 0.299 210 G C -0.322 174.758 174.900 0.301 0.000 1.372 210 G CA -0.795 44.459 45.100 0.257 0.000 0.781 210 G HN 0.500 nan 8.290 nan 0.000 0.491 211 R N -0.916 119.765 120.500 0.303 0.000 2.287 211 R HA 0.229 4.570 4.340 0.001 0.000 0.197 211 R C 0.418 176.942 176.300 0.373 0.000 0.900 211 R CA 0.079 56.414 56.100 0.392 0.000 1.052 211 R CB 0.851 31.385 30.300 0.391 0.000 1.117 211 R HN 0.292 nan 8.270 nan 0.000 0.568 212 R N 0.152 120.787 120.500 0.224 0.000 2.637 212 R HA 0.283 4.623 4.340 0.001 0.000 0.291 212 R C 0.497 176.912 176.300 0.192 0.000 0.963 212 R CA -0.336 55.846 56.100 0.136 0.000 0.901 212 R CB 1.668 31.938 30.300 -0.051 0.000 1.160 212 R HN -0.168 nan 8.270 nan 0.000 0.457 213 T N 1.100 115.804 114.554 0.251 0.000 2.803 213 T HA -0.154 4.196 4.350 0.001 0.000 0.269 213 T C 1.096 175.887 174.700 0.152 0.000 1.052 213 T CA 1.508 63.752 62.100 0.242 0.000 1.136 213 T CB -0.003 69.076 68.868 0.351 0.000 0.864 213 T HN 0.587 nan 8.240 nan 0.000 0.467 214 E N 0.740 121.017 120.200 0.129 0.000 2.107 214 E HA -0.110 4.240 4.350 0.001 0.000 0.191 214 E C 1.983 178.632 176.600 0.082 0.000 0.982 214 E CA 0.969 57.410 56.400 0.068 0.000 0.809 214 E CB -0.052 29.672 29.700 0.040 0.000 0.756 214 E HN 0.415 nan 8.360 nan 0.000 0.459 215 D N 0.360 120.818 120.400 0.096 0.000 2.092 215 D HA -0.149 4.492 4.640 0.001 0.000 0.193 215 D C 2.076 178.435 176.300 0.098 0.000 0.994 215 D CA 0.968 55.029 54.000 0.101 0.000 0.828 215 D CB -0.425 40.446 40.800 0.117 0.000 0.963 215 D HN 0.020 nan 8.370 nan 0.000 0.450 216 V N 1.385 121.358 119.914 0.099 0.000 2.295 216 V HA -0.225 3.895 4.120 0.001 0.000 0.246 216 V C 2.518 178.634 176.094 0.036 0.000 1.049 216 V CA 1.812 64.152 62.300 0.066 0.000 1.024 216 V CB -0.891 30.966 31.823 0.056 0.000 0.648 216 V HN 0.203 nan 8.190 nan 0.000 0.447 217 A N -0.368 122.478 122.820 0.044 0.000 1.972 217 A HA -0.190 4.130 4.320 0.001 0.000 0.219 217 A C 2.148 179.836 177.584 0.174 0.000 1.169 217 A CA 2.078 54.153 52.037 0.063 0.000 0.635 217 A CB -0.482 18.573 19.000 0.092 0.000 0.810 217 A HN 0.449 nan 8.150 nan 0.000 0.446 218 L N -0.401 120.906 121.223 0.140 0.000 2.068 218 L HA -0.021 4.319 4.340 0.001 0.000 0.204 218 L C 2.393 179.350 176.870 0.145 0.000 1.076 218 L CA 1.713 56.641 54.840 0.147 0.000 0.753 218 L CB -0.597 41.528 42.059 0.110 0.000 0.910 218 L HN 0.130 nan 8.230 nan 0.000 0.439 219 V N -0.389 119.594 119.914 0.115 0.000 2.343 219 V HA -0.274 3.846 4.120 0.001 0.000 0.247 219 V C 2.546 178.715 176.094 0.125 0.000 1.051 219 V CA 1.720 64.082 62.300 0.103 0.000 1.036 219 V CB -0.642 31.231 31.823 0.083 0.000 0.654 219 V HN 0.449 nan 8.190 nan 0.000 0.451 220 L N 0.242 121.542 121.223 0.128 0.000 2.012 220 L HA -0.208 4.133 4.340 0.001 0.000 0.210 220 L C 2.518 179.618 176.870 0.383 0.000 1.073 220 L CA 2.358 57.298 54.840 0.166 0.000 0.748 220 L CB -0.676 41.370 42.059 -0.022 0.000 0.891 220 L HN 0.433 nan 8.230 nan 0.000 0.431 221 E N -1.110 119.382 120.200 0.487 0.000 2.085 221 E HA -0.214 4.136 4.350 0.001 0.000 0.194 221 E C 2.074 178.796 176.600 0.203 0.000 0.994 221 E CA 1.727 58.376 56.400 0.415 0.000 0.801 221 E CB 0.003 29.880 29.700 0.296 0.000 0.743 221 E HN 0.401 nan 8.360 nan 0.000 0.453 222 V N 1.799 121.812 119.914 0.166 0.000 2.307 222 V HA -0.247 3.873 4.120 0.001 0.000 0.245 222 V C 2.455 178.611 176.094 0.103 0.000 1.045 222 V CA 1.950 64.315 62.300 0.109 0.000 1.024 222 V CB -0.574 31.305 31.823 0.094 0.000 0.651 222 V HN 0.496 nan 8.190 nan 0.000 0.449 223 I N -2.350 118.292 120.570 0.120 0.000 3.251 223 I HA 0.097 4.267 4.170 0.001 0.000 0.277 223 I C 1.196 177.384 176.117 0.118 0.000 1.268 223 I CA 0.376 61.738 61.300 0.103 0.000 1.449 223 I CB -0.146 37.910 38.000 0.094 0.000 1.083 223 I HN 0.098 nan 8.210 nan 0.000 0.464 224 S N 0.864 116.664 115.700 0.167 0.000 2.645 224 S HA 0.718 5.189 4.470 0.001 0.000 0.266 224 S C 0.258 174.935 174.600 0.129 0.000 1.258 224 S CA 0.282 58.597 58.200 0.192 0.000 0.990 224 S CB 1.054 64.461 63.200 0.345 0.000 0.967 224 S HN 0.841 nan 8.310 nan 0.000 0.556 225 G N 0.052 108.936 108.800 0.139 0.000 2.570 225 G HA2 -0.084 3.877 3.960 0.001 0.000 0.686 225 G HA3 -0.084 3.877 3.960 0.001 0.000 0.686 225 G C -1.048 173.941 174.900 0.148 0.000 1.257 225 G CA -0.694 44.480 45.100 0.124 0.000 0.846 225 G HN 0.774 nan 8.290 nan 0.000 0.627 226 W N 1.576 122.868 121.300 -0.012 0.000 2.257 226 W HA 0.493 5.154 4.660 0.001 0.000 0.337 226 W C -0.102 176.407 176.519 -0.016 0.000 1.321 226 W CA 0.663 57.997 57.345 -0.018 0.000 1.267 226 W CB 0.887 30.324 29.460 -0.039 0.000 1.187 226 W HN 0.697 nan 8.180 nan 0.000 0.565 227 D N 4.076 124.054 120.400 -0.704 0.000 2.696 227 D HA 0.088 4.728 4.640 0.001 0.000 0.251 227 D C 0.953 176.627 176.300 -1.044 0.000 1.188 227 D CA -0.357 53.169 54.000 -0.791 0.000 0.876 227 D CB 1.319 41.921 40.800 -0.330 0.000 1.334 227 D HN 0.640 nan 8.370 nan 0.000 0.540 228 E N 2.335 121.824 120.200 -1.186 0.000 2.265 228 E HA -0.179 4.171 4.350 0.001 0.000 0.196 228 E C 0.709 177.122 176.600 -0.311 0.000 0.996 228 E CA 0.869 56.871 56.400 -0.664 0.000 0.832 228 E CB 0.014 29.396 29.700 -0.530 0.000 0.756 228 E HN 0.336 nan 8.360 nan 0.000 0.491 229 K N 0.513 120.684 120.400 -0.382 0.000 2.444 229 K HA 0.043 4.363 4.320 0.001 0.000 0.193 229 K C -0.261 176.299 176.600 -0.067 0.000 1.024 229 K CA 0.261 56.361 56.287 -0.311 0.000 1.077 229 K CB 0.296 32.291 32.500 -0.843 0.000 0.833 229 K HN 0.017 nan 8.250 nan 0.000 0.517 230 D N -0.699 119.667 120.400 -0.057 0.000 2.542 230 D HA 0.166 4.806 4.640 0.001 0.000 0.252 230 D C 0.088 176.449 176.300 0.102 0.000 1.222 230 D CA -0.296 53.740 54.000 0.059 0.000 0.895 230 D CB 1.586 42.422 40.800 0.059 0.000 1.207 230 D HN -0.244 nan 8.370 nan 0.000 0.558 231 S N 1.322 117.095 115.700 0.120 0.000 2.423 231 S HA -0.103 4.367 4.470 0.001 0.000 0.231 231 S C 1.735 176.431 174.600 0.159 0.000 1.014 231 S CA 1.573 59.859 58.200 0.143 0.000 0.965 231 S CB 0.018 63.287 63.200 0.115 0.000 0.785 231 S HN 0.749 nan 8.310 nan 0.000 0.495 232 T N 0.130 114.773 114.554 0.147 0.000 3.081 232 T HA 0.125 4.476 4.350 0.001 0.000 0.250 232 T C 0.880 175.655 174.700 0.125 0.000 1.100 232 T CA 0.188 62.385 62.100 0.162 0.000 1.038 232 T CB -0.215 68.769 68.868 0.194 0.000 0.962 232 T HN 0.325 nan 8.240 nan 0.000 0.516 233 S N 1.494 117.278 115.700 0.140 0.000 2.549 233 S HA 0.625 5.095 4.470 0.001 0.000 0.279 233 S C 0.260 175.022 174.600 0.270 0.000 1.321 233 S CA -0.730 57.572 58.200 0.171 0.000 1.054 233 S CB 0.668 63.958 63.200 0.151 0.000 0.899 233 S HN 0.608 nan 8.310 nan 0.000 0.497 234 A N 3.637 126.587 122.820 0.217 0.000 2.363 234 A HA 0.388 4.708 4.320 0.001 0.000 0.270 234 A C 0.524 178.116 177.584 0.013 0.000 1.121 234 A CA -0.761 51.330 52.037 0.089 0.000 0.800 234 A CB 0.199 19.201 19.000 0.003 0.000 1.052 234 A HN 0.901 nan 8.150 nan 0.000 0.493 235 K N 2.038 122.326 120.400 -0.186 0.000 2.502 235 K HA 0.338 4.658 4.320 0.001 0.000 0.244 235 K C -1.100 175.330 176.600 -0.284 0.000 1.249 235 K CA 0.103 56.183 56.287 -0.344 0.000 1.193 235 K CB -0.087 32.074 32.500 -0.566 0.000 1.674 235 K HN 0.426 nan 8.250 nan 0.000 0.302 236 V N 3.240 123.010 119.914 -0.239 0.000 2.588 236 V HA 0.264 4.384 4.120 0.001 0.000 0.304 236 V C -2.015 173.972 176.094 -0.179 0.000 1.042 236 V CA -2.008 60.109 62.300 -0.305 0.000 0.877 236 V CB 1.782 33.258 31.823 -0.579 0.000 0.996 236 V HN 0.489 nan 8.190 nan 0.000 0.425 237 P HA 0.154 nan 4.420 nan 0.000 0.268 237 P C -0.558 176.645 177.300 -0.162 0.000 1.205 237 P CA -0.010 63.012 63.100 -0.130 0.000 0.771 237 P CB 0.767 32.390 31.700 -0.129 0.000 0.858 238 V N 5.129 124.933 119.914 -0.183 0.000 2.455 238 V HA 0.139 4.259 4.120 0.001 0.000 0.273 238 V C -1.765 174.019 176.094 -0.517 0.000 1.045 238 V CA -1.319 60.770 62.300 -0.352 0.000 0.976 238 V CB -0.033 31.622 31.823 -0.281 0.000 0.993 238 V HN 0.573 nan 8.190 nan 0.000 0.475 239 P HA 0.145 nan 4.420 nan 0.000 0.269 239 P C -0.203 176.606 177.300 -0.818 0.000 1.209 239 P CA -0.274 62.383 63.100 -0.738 0.000 0.776 239 P CB 0.444 31.691 31.700 -0.755 0.000 0.876 240 E N 1.760 121.731 120.200 -0.383 0.000 1.842 240 E HA -0.026 4.324 4.350 0.001 0.000 0.278 240 E C 0.327 176.893 176.600 -0.056 0.000 1.171 240 E CA -0.016 56.268 56.400 -0.193 0.000 1.127 240 E CB -0.262 29.383 29.700 -0.092 0.000 1.100 240 E HN 0.509 nan 8.360 nan 0.000 0.456 241 W N 0.751 122.068 121.300 0.028 0.000 2.363 241 W HA -0.166 4.495 4.660 0.000 0.000 0.296 241 W C 2.072 178.596 176.519 0.007 0.000 1.212 241 W CA 1.363 58.724 57.345 0.027 0.000 1.260 241 W CB -0.878 28.606 29.460 0.040 0.000 1.131 241 W HN 0.409 nan 8.180 nan 0.000 0.530 242 S N -0.205 115.628 115.700 0.222 0.000 2.423 242 S HA -0.134 4.337 4.470 0.001 0.000 0.231 242 S C 1.274 175.905 174.600 0.051 0.000 1.014 242 S CA 0.978 59.245 58.200 0.113 0.000 0.965 242 S CB -0.328 62.928 63.200 0.093 0.000 0.785 242 S HN 0.140 nan 8.310 nan 0.000 0.495 243 E N 0.612 120.844 120.200 0.054 0.000 2.489 243 E HA 0.161 4.512 4.350 0.001 0.000 0.193 243 E C 1.382 178.002 176.600 0.032 0.000 1.057 243 E CA 0.376 56.791 56.400 0.025 0.000 0.866 243 E CB 0.168 29.878 29.700 0.016 0.000 0.916 243 E HN 0.644 nan 8.360 nan 0.000 0.500 244 E N -0.279 119.965 120.200 0.074 0.000 2.372 244 E HA -0.046 4.304 4.350 0.001 0.000 0.201 244 E C 1.904 178.553 176.600 0.081 0.000 0.938 244 E CA 0.361 56.820 56.400 0.099 0.000 0.944 244 E CB 0.393 30.199 29.700 0.175 0.000 0.937 244 E HN 0.050 nan 8.360 nan 0.000 0.495 245 V N 0.122 120.061 119.914 0.042 0.000 2.392 245 V HA -0.193 3.927 4.120 0.001 0.000 0.249 245 V C 2.104 178.108 176.094 -0.151 0.000 1.059 245 V CA 1.817 64.103 62.300 -0.023 0.000 1.051 245 V CB -0.513 31.252 31.823 -0.098 0.000 0.658 245 V HN 0.063 nan 8.190 nan 0.000 0.455 246 K N 0.260 120.498 120.400 -0.269 0.000 2.296 246 K HA 0.040 4.360 4.320 0.001 0.000 0.200 246 K C 0.937 177.559 176.600 0.036 0.000 1.048 246 K CA 0.370 56.475 56.287 -0.303 0.000 0.966 246 K CB 0.050 32.396 32.500 -0.257 0.000 0.754 246 K HN 0.545 nan 8.250 nan 0.000 0.466 247 K N 0.998 121.428 120.400 0.050 0.000 2.230 247 K HA 0.024 4.345 4.320 0.001 0.000 0.253 247 K C -0.308 176.370 176.600 0.129 0.000 1.008 247 K CA 0.270 56.609 56.287 0.087 0.000 0.910 247 K CB 0.759 33.301 32.500 0.070 0.000 0.994 247 K HN -0.012 nan 8.250 nan 0.000 0.495 248 E N 1.065 121.329 120.200 0.107 0.000 2.241 248 E HA 0.223 4.573 4.350 0.001 0.000 0.263 248 E C -1.668 174.967 176.600 0.059 0.000 0.882 248 E CA -0.609 55.852 56.400 0.102 0.000 0.769 248 E CB 1.653 31.411 29.700 0.098 0.000 1.185 248 E HN 0.184 nan 8.360 nan 0.000 0.415 249 V N 4.769 124.713 119.914 0.049 0.000 2.394 249 V HA 0.315 4.435 4.120 0.001 0.000 0.282 249 V C 0.130 176.199 176.094 -0.041 0.000 1.031 249 V CA -0.765 61.548 62.300 0.020 0.000 0.881 249 V CB 1.451 33.302 31.823 0.047 0.000 0.982 249 V HN 0.628 nan 8.190 nan 0.000 0.451 250 K N 2.660 123.035 120.400 -0.043 0.000 2.270 250 K HA 0.466 4.786 4.320 0.001 0.000 0.276 250 K C 1.069 177.618 176.600 -0.084 0.000 1.023 250 K CA 0.592 56.831 56.287 -0.080 0.000 0.955 250 K CB 1.026 33.497 32.500 -0.047 0.000 0.975 250 K HN 1.108 nan 8.250 nan 0.000 0.471 251 G N 2.235 110.957 108.800 -0.130 0.000 2.198 251 G HA2 -0.257 3.703 3.960 0.001 0.000 0.257 251 G HA3 -0.257 3.703 3.960 0.001 0.000 0.257 251 G C 0.046 174.910 174.900 -0.061 0.000 1.042 251 G CA -0.129 44.918 45.100 -0.089 0.000 0.791 251 G HN 0.440 nan 8.290 nan 0.000 0.502 252 L N -0.944 120.212 121.223 -0.112 0.000 2.472 252 L HA 0.508 4.848 4.340 0.001 0.000 0.260 252 L C 0.966 177.916 176.870 0.133 0.000 1.209 252 L CA 0.150 55.008 54.840 0.030 0.000 0.817 252 L CB 0.648 42.767 42.059 0.101 0.000 1.106 252 L HN 0.124 nan 8.230 nan 0.000 0.479 253 K N 1.877 122.392 120.400 0.192 0.000 2.371 253 K HA 0.634 4.954 4.320 0.001 0.000 0.251 253 K C -1.353 175.363 176.600 0.193 0.000 0.934 253 K CA -0.553 55.841 56.287 0.179 0.000 0.798 253 K CB 2.297 34.866 32.500 0.116 0.000 1.204 253 K HN 0.353 nan 8.250 nan 0.000 0.427 254 I N 1.431 122.091 120.570 0.149 0.000 2.406 254 I HA 0.323 4.493 4.170 0.001 0.000 0.290 254 I C 0.238 176.390 176.117 0.058 0.000 0.999 254 I CA -0.656 60.703 61.300 0.098 0.000 1.124 254 I CB 2.098 40.111 38.000 0.022 0.000 1.289 254 I HN 0.636 nan 8.210 nan 0.000 0.441 255 G N 6.964 115.786 108.800 0.037 0.000 2.332 255 G HA2 0.638 4.598 3.960 0.001 0.000 0.310 255 G HA3 0.638 4.598 3.960 0.001 0.000 0.310 255 G C -0.695 174.176 174.900 -0.048 0.000 1.123 255 G CA -0.470 44.608 45.100 -0.036 0.000 0.873 255 G HN 0.462 nan 8.290 nan 0.000 0.460 256 L N 3.885 125.070 121.223 -0.063 0.000 2.301 256 L HA 0.272 4.612 4.340 0.001 0.000 0.278 256 L C -2.292 174.380 176.870 -0.331 0.000 1.022 256 L CA -1.869 52.917 54.840 -0.090 0.000 0.854 256 L CB 2.186 44.293 42.059 0.080 0.000 1.226 256 L HN 0.282 nan 8.230 nan 0.000 0.429 257 P HA 0.024 nan 4.420 nan 0.000 0.262 257 P C 0.290 177.080 177.300 -0.850 0.000 1.199 257 P CA 0.137 62.782 63.100 -0.758 0.000 0.763 257 P CB 0.592 31.513 31.700 -1.299 0.000 0.790 258 K N 2.422 122.473 120.400 -0.582 0.000 2.152 258 K HA -0.197 4.123 4.320 0.001 0.000 0.206 258 K C 1.226 177.591 176.600 -0.392 0.000 1.048 258 K CA 1.562 57.615 56.287 -0.391 0.000 0.933 258 K CB -0.056 32.403 32.500 -0.068 0.000 0.721 258 K HN 0.447 nan 8.250 nan 0.000 0.447 259 E N -0.125 119.790 120.200 -0.475 0.000 2.347 259 E HA -0.080 4.270 4.350 0.001 0.000 0.196 259 E C 1.239 177.564 176.600 -0.459 0.000 1.008 259 E CA 0.658 56.834 56.400 -0.373 0.000 0.852 259 E CB -0.016 29.465 29.700 -0.366 0.000 0.783 259 E HN 0.169 nan 8.360 nan 0.000 0.505 260 F N -0.756 118.704 119.950 -0.816 0.000 2.558 260 F HA 0.032 4.559 4.527 0.000 0.000 0.298 260 F C 1.195 176.647 175.800 -0.579 0.000 1.119 260 F CA 0.056 57.436 58.000 -1.034 0.000 1.451 260 F CB -0.492 38.008 39.000 -0.833 0.000 1.091 260 F HN 0.039 nan 8.300 nan 0.000 0.563 261 F N 0.554 120.459 119.950 -0.074 0.000 2.293 261 F HA -0.107 4.420 4.527 0.000 0.000 0.300 261 F C 2.062 177.865 175.800 0.005 0.000 1.086 261 F CA 0.740 58.728 58.000 -0.021 0.000 1.375 261 F CB -0.791 38.197 39.000 -0.021 0.000 1.045 261 F HN -0.057 nan 8.300 nan 0.000 0.516 262 E N -0.990 119.301 120.200 0.153 0.000 2.502 262 E HA -0.068 4.282 4.350 0.001 0.000 0.194 262 E C -0.248 176.511 176.600 0.265 0.000 1.062 262 E CA 0.220 56.722 56.400 0.170 0.000 0.867 262 E CB -0.279 29.499 29.700 0.130 0.000 0.888 262 E HN 0.222 nan 8.360 nan 0.000 0.510 263 Y N 1.979 122.302 120.300 0.039 0.000 2.359 263 Y HA 0.091 4.641 4.550 0.001 0.000 0.334 263 Y C 0.677 176.560 175.900 -0.027 0.000 1.058 263 Y CA -1.345 56.740 58.100 -0.024 0.000 1.244 263 Y CB 0.177 38.577 38.460 -0.101 0.000 1.187 263 Y HN -0.101 nan 8.280 nan 0.000 0.510 264 E N 4.552 124.804 120.200 0.086 0.000 2.463 264 E HA 0.071 4.422 4.350 0.001 0.000 0.248 264 E C -0.752 175.854 176.600 0.011 0.000 1.106 264 E CA 0.178 56.594 56.400 0.028 0.000 0.946 264 E CB 0.198 29.886 29.700 -0.020 0.000 0.971 264 E HN 0.441 nan 8.360 nan 0.000 0.478 265 L N 3.001 124.240 121.223 0.026 0.000 2.325 265 L HA 0.224 4.564 4.340 0.001 0.000 0.278 265 L C 0.512 177.386 176.870 0.005 0.000 1.023 265 L CA -0.849 53.996 54.840 0.008 0.000 0.811 265 L CB 1.698 43.771 42.059 0.023 0.000 1.249 265 L HN 0.455 nan 8.230 nan 0.000 0.431 266 Q N 3.051 122.848 119.800 -0.005 0.000 2.330 266 Q HA 0.030 4.371 4.340 0.001 0.000 0.279 266 Q C -1.538 174.467 176.000 0.009 0.000 1.024 266 Q CA -1.343 54.459 55.803 -0.002 0.000 0.900 266 Q CB 1.264 29.996 28.738 -0.010 0.000 1.221 266 Q HN 0.311 nan 8.270 nan 0.000 0.396 267 P HA -0.232 nan 4.420 nan 0.000 0.216 267 P C 0.570 177.883 177.300 0.022 0.000 1.153 267 P CA 1.421 64.533 63.100 0.020 0.000 0.858 267 P CB 0.322 32.031 31.700 0.015 0.000 0.789 268 Q N -0.841 118.966 119.800 0.011 0.000 2.096 268 Q HA -0.121 4.220 4.340 0.001 0.000 0.204 268 Q C 2.078 178.083 176.000 0.008 0.000 0.982 268 Q CA 1.493 57.300 55.803 0.007 0.000 0.850 268 Q CB -1.309 27.425 28.738 -0.007 0.000 0.901 268 Q HN 0.140 nan 8.270 nan 0.000 0.422 269 V N 0.565 120.482 119.914 0.004 0.000 2.307 269 V HA -0.238 3.883 4.120 0.001 0.000 0.245 269 V C 2.155 178.286 176.094 0.062 0.000 1.045 269 V CA 1.785 64.088 62.300 0.005 0.000 1.024 269 V CB -0.620 31.193 31.823 -0.017 0.000 0.651 269 V HN 0.290 nan 8.190 nan 0.000 0.449 270 K N 0.193 120.635 120.400 0.070 0.000 2.020 270 K HA -0.306 4.014 4.320 0.001 0.000 0.212 270 K C 2.309 178.991 176.600 0.136 0.000 1.050 270 K CA 2.357 58.719 56.287 0.124 0.000 0.929 270 K CB -0.215 32.341 32.500 0.093 0.000 0.714 270 K HN 0.563 nan 8.250 nan 0.000 0.443 271 E N -0.376 119.871 120.200 0.079 0.000 2.049 271 E HA -0.247 4.103 4.350 0.001 0.000 0.198 271 E C 1.810 178.446 176.600 0.059 0.000 1.007 271 E CA 1.453 57.888 56.400 0.058 0.000 0.809 271 E CB -0.168 29.555 29.700 0.039 0.000 0.749 271 E HN 0.435 nan 8.360 nan 0.000 0.450 272 A N 0.292 123.145 122.820 0.055 0.000 1.908 272 A HA -0.206 4.115 4.320 0.001 0.000 0.218 272 A C 2.033 179.664 177.584 0.078 0.000 1.181 272 A CA 1.510 53.570 52.037 0.038 0.000 0.627 272 A CB -0.872 18.122 19.000 -0.010 0.000 0.818 272 A HN 0.498 nan 8.150 nan 0.000 0.445 273 F N 0.786 120.726 119.950 -0.015 0.000 2.113 273 F HA -0.094 4.434 4.527 0.001 0.000 0.297 273 F C 2.162 178.016 175.800 0.090 0.000 1.103 273 F CA 1.992 60.011 58.000 0.031 0.000 1.248 273 F CB -0.494 38.513 39.000 0.012 0.000 0.999 273 F HN 0.367 nan 8.300 nan 0.000 0.475 274 E N -0.023 120.150 120.200 -0.046 0.000 2.070 274 E HA -0.305 4.046 4.350 0.001 0.000 0.197 274 E C 2.173 178.692 176.600 -0.136 0.000 1.004 274 E CA 1.441 57.768 56.400 -0.123 0.000 0.805 274 E CB -0.520 29.179 29.700 -0.002 0.000 0.744 274 E HN 0.503 nan 8.360 nan 0.000 0.451 275 N N 0.102 118.774 118.700 -0.046 0.000 2.188 275 N HA -0.174 4.566 4.740 0.001 0.000 0.184 275 N C 1.901 177.411 175.510 -0.000 0.000 1.018 275 N CA 0.775 53.824 53.050 -0.003 0.000 0.858 275 N CB -0.093 38.425 38.487 0.053 0.000 0.989 275 N HN 0.083 nan 8.380 nan 0.000 0.426 276 F N 2.125 121.940 119.950 -0.226 0.000 2.126 276 F HA -0.147 4.380 4.527 0.001 0.000 0.299 276 F C 2.097 177.665 175.800 -0.387 0.000 1.096 276 F CA 1.123 58.890 58.000 -0.388 0.000 1.255 276 F CB -0.348 38.294 39.000 -0.597 0.000 0.997 276 F HN -0.009 nan 8.300 nan 0.000 0.479 277 I N 0.465 120.631 120.570 -0.672 0.000 2.286 277 I HA -0.212 3.958 4.170 0.001 0.000 0.245 277 I C 2.300 178.202 176.117 -0.358 0.000 1.104 277 I CA 1.249 62.149 61.300 -0.667 0.000 1.397 277 I CB -1.403 36.207 38.000 -0.650 0.000 1.072 277 I HN 0.166 nan 8.210 nan 0.000 0.417 278 K N 0.575 120.843 120.400 -0.220 0.000 2.063 278 K HA -0.231 4.089 4.320 0.001 0.000 0.208 278 K C 2.060 178.625 176.600 -0.057 0.000 1.048 278 K CA 1.487 57.713 56.287 -0.102 0.000 0.928 278 K CB -0.065 32.402 32.500 -0.055 0.000 0.713 278 K HN 0.068 nan 8.250 nan 0.000 0.442 279 E N 0.677 120.855 120.200 -0.037 0.000 2.152 279 E HA -0.058 4.292 4.350 0.001 0.000 0.192 279 E C 1.662 178.289 176.600 0.045 0.000 0.983 279 E CA 0.748 57.183 56.400 0.058 0.000 0.818 279 E CB 0.046 29.870 29.700 0.207 0.000 0.758 279 E HN 0.195 nan 8.360 nan 0.000 0.467 280 L N -0.027 121.124 121.223 -0.121 0.000 2.072 280 L HA -0.115 4.225 4.340 0.001 0.000 0.205 280 L C 2.456 179.385 176.870 0.099 0.000 1.079 280 L CA 1.248 56.013 54.840 -0.126 0.000 0.752 280 L CB -0.350 41.334 42.059 -0.624 0.000 0.906 280 L HN 0.207 nan 8.230 nan 0.000 0.436 281 E N 0.620 120.821 120.200 0.001 0.000 2.049 281 E HA -0.275 4.076 4.350 0.001 0.000 0.198 281 E C 2.152 178.799 176.600 0.077 0.000 1.007 281 E CA 1.511 57.944 56.400 0.055 0.000 0.809 281 E CB 0.120 29.819 29.700 -0.002 0.000 0.749 281 E HN 0.315 nan 8.360 nan 0.000 0.450 282 K N 0.112 120.547 120.400 0.059 0.000 2.160 282 K HA -0.166 4.155 4.320 0.001 0.000 0.206 282 K C 1.834 178.482 176.600 0.081 0.000 1.047 282 K CA 1.085 57.407 56.287 0.060 0.000 0.930 282 K CB -0.009 32.523 32.500 0.054 0.000 0.720 282 K HN 0.146 nan 8.250 nan 0.000 0.450 283 E N -0.688 119.593 120.200 0.136 0.000 2.481 283 E HA -0.028 4.323 4.350 0.001 0.000 0.195 283 E C 1.063 177.710 176.600 0.079 0.000 1.047 283 E CA 0.668 57.157 56.400 0.149 0.000 0.867 283 E CB 0.698 30.556 29.700 0.264 0.000 0.858 283 E HN 0.553 nan 8.360 nan 0.000 0.513 284 G N 0.813 109.657 108.800 0.074 0.000 2.175 284 G HA2 -0.215 3.745 3.960 0.001 0.000 0.182 284 G HA3 -0.215 3.745 3.960 0.001 0.000 0.182 284 G C -0.056 174.791 174.900 -0.089 0.000 1.003 284 G CA -0.528 44.553 45.100 -0.031 0.000 0.666 284 G HN 0.133 nan 8.290 nan 0.000 0.506 285 F N 1.818 121.766 119.950 -0.004 0.000 2.456 285 F HA 0.460 4.987 4.527 0.001 0.000 0.358 285 F C 1.022 176.813 175.800 -0.015 0.000 1.095 285 F CA -0.077 57.918 58.000 -0.009 0.000 1.216 285 F CB 0.923 39.902 39.000 -0.034 0.000 1.125 285 F HN 0.126 nan 8.300 nan 0.000 0.549 286 E N 3.918 124.206 120.200 0.147 0.000 2.289 286 E HA 0.263 4.613 4.350 0.001 0.000 0.278 286 E C -1.016 175.644 176.600 0.100 0.000 1.032 286 E CA -0.546 55.910 56.400 0.092 0.000 0.854 286 E CB 0.633 30.367 29.700 0.056 0.000 1.046 286 E HN 0.325 nan 8.360 nan 0.000 0.409 287 I N 4.673 125.280 120.570 0.061 0.000 2.355 287 I HA 0.321 4.492 4.170 0.001 0.000 0.288 287 I C -0.244 175.894 176.117 0.035 0.000 0.999 287 I CA -0.497 60.827 61.300 0.040 0.000 1.163 287 I CB 1.118 39.123 38.000 0.008 0.000 1.316 287 I HN 0.459 nan 8.210 nan 0.000 0.454 288 K N 4.848 125.269 120.400 0.034 0.000 2.371 288 K HA 0.448 4.768 4.320 0.001 0.000 0.251 288 K C -0.510 176.099 176.600 0.015 0.000 0.934 288 K CA -0.747 55.554 56.287 0.023 0.000 0.798 288 K CB 2.583 35.091 32.500 0.014 0.000 1.204 288 K HN 0.448 nan 8.250 nan 0.000 0.427 289 E N 1.916 122.130 120.200 0.023 0.000 2.338 289 E HA 0.177 4.527 4.350 0.001 0.000 0.272 289 E C -0.259 176.303 176.600 -0.064 0.000 1.029 289 E CA -0.483 55.925 56.400 0.014 0.000 0.872 289 E CB 1.162 30.911 29.700 0.081 0.000 1.015 289 E HN 0.324 nan 8.360 nan 0.000 0.417 290 V N -0.431 119.392 119.914 -0.152 0.000 3.113 290 V HA 0.632 4.753 4.120 0.001 0.000 0.316 290 V C -0.166 175.762 176.094 -0.276 0.000 1.125 290 V CA -0.910 61.265 62.300 -0.209 0.000 1.026 290 V CB 2.123 33.791 31.823 -0.258 0.000 1.080 290 V HN 0.462 nan 8.190 nan 0.000 0.444 291 S N 1.618 117.155 115.700 -0.273 0.000 2.509 291 S HA 0.806 5.276 4.470 0.001 0.000 0.297 291 S C -0.543 173.828 174.600 -0.382 0.000 1.118 291 S CA -0.525 57.496 58.200 -0.298 0.000 1.074 291 S CB 0.946 64.021 63.200 -0.207 0.000 1.038 291 S HN 0.675 nan 8.310 nan 0.000 0.498 292 L N 4.321 125.282 121.223 -0.435 0.000 2.481 292 L HA 0.324 4.664 4.340 0.001 0.000 0.255 292 L C -1.883 174.803 176.870 -0.308 0.000 1.192 292 L CA -1.552 53.025 54.840 -0.438 0.000 0.924 292 L CB 1.587 43.240 42.059 -0.677 0.000 1.179 292 L HN 0.421 nan 8.230 nan 0.000 0.491 293 P HA -0.147 nan 4.420 nan 0.000 0.223 293 P C 0.711 177.834 177.300 -0.296 0.000 1.144 293 P CA 1.472 64.376 63.100 -0.326 0.000 0.783 293 P CB 0.199 31.638 31.700 -0.434 0.000 0.771 294 H N -1.532 117.555 119.070 0.028 0.000 2.750 294 H HA 0.050 4.606 4.556 0.000 0.000 0.263 294 H C 1.905 177.357 175.328 0.207 0.000 0.964 294 H CA 0.139 56.304 56.048 0.195 0.000 1.205 294 H CB -0.282 29.565 29.762 0.142 0.000 1.454 294 H HN -0.124 nan 8.280 nan 0.000 0.503 295 V N 1.168 121.179 119.914 0.162 0.000 2.439 295 V HA -0.360 3.761 4.120 0.001 0.000 0.253 295 V C 2.140 178.373 176.094 0.233 0.000 1.074 295 V CA 2.191 64.610 62.300 0.198 0.000 1.076 295 V CB -0.747 31.147 31.823 0.118 0.000 0.664 295 V HN 0.508 nan 8.190 nan 0.000 0.461 296 K N -0.074 120.395 120.400 0.115 0.000 2.360 296 K HA -0.198 4.122 4.320 0.001 0.000 0.201 296 K C 1.772 178.294 176.600 -0.130 0.000 1.046 296 K CA 2.117 58.416 56.287 0.021 0.000 0.940 296 K CB -0.627 31.795 32.500 -0.131 0.000 0.748 296 K HN 0.546 nan 8.250 nan 0.000 0.465 297 Y N 1.413 121.796 120.300 0.137 0.000 2.490 297 Y HA 0.161 4.711 4.550 0.000 0.000 0.281 297 Y C 2.168 178.125 175.900 0.095 0.000 1.174 297 Y CA 0.050 58.210 58.100 0.100 0.000 1.295 297 Y CB 0.360 38.872 38.460 0.086 0.000 1.062 297 Y HN 0.081 nan 8.280 nan 0.000 0.522 298 S N 0.212 116.048 115.700 0.226 0.000 2.374 298 S HA -0.181 4.290 4.470 0.001 0.000 0.227 298 S C 1.986 176.674 174.600 0.146 0.000 1.037 298 S CA 1.242 59.546 58.200 0.174 0.000 1.024 298 S CB -0.209 63.093 63.200 0.170 0.000 0.861 298 S HN 0.343 nan 8.310 nan 0.000 0.456 299 I N 1.638 122.292 120.570 0.140 0.000 2.193 299 I HA -0.017 4.153 4.170 0.001 0.000 0.240 299 I C -0.932 175.350 176.117 0.275 0.000 1.084 299 I CA 0.827 62.236 61.300 0.182 0.000 1.365 299 I CB -2.288 35.793 38.000 0.135 0.000 1.064 299 I HN 0.145 nan 8.210 nan 0.000 0.410 300 P HA -0.092 nan 4.420 nan 0.000 0.216 300 P C 1.756 179.148 177.300 0.153 0.000 1.153 300 P CA 1.623 64.838 63.100 0.191 0.000 0.848 300 P CB -0.140 31.661 31.700 0.169 0.000 0.787 301 T N -1.384 113.246 114.554 0.127 0.000 2.684 301 T HA -0.237 4.113 4.350 0.001 0.000 0.267 301 T C 1.670 176.379 174.700 0.014 0.000 1.036 301 T CA 1.484 63.612 62.100 0.047 0.000 1.148 301 T CB -1.180 67.714 68.868 0.044 0.000 0.863 301 T HN 0.132 nan 8.240 nan 0.000 0.436 302 Y N 0.373 120.610 120.300 -0.105 0.000 2.242 302 Y HA -0.107 4.443 4.550 0.000 0.000 0.291 302 Y C 1.444 177.149 175.900 -0.326 0.000 1.137 302 Y CA 1.090 59.029 58.100 -0.267 0.000 1.181 302 Y CB -0.207 38.018 38.460 -0.392 0.000 0.989 302 Y HN 0.216 nan 8.280 nan 0.000 0.527 303 Y N -0.150 120.199 120.300 0.081 0.000 2.470 303 Y HA 0.114 4.664 4.550 0.001 0.000 0.302 303 Y C 1.307 177.183 175.900 -0.040 0.000 1.194 303 Y CA 0.265 58.339 58.100 -0.042 0.000 1.271 303 Y CB -0.203 38.187 38.460 -0.117 0.000 1.092 303 Y HN 0.197 nan 8.280 nan 0.000 0.513 304 I N -1.866 118.739 120.570 0.058 0.000 3.136 304 I HA -0.090 4.080 4.170 0.001 0.000 0.262 304 I C 1.762 177.901 176.117 0.036 0.000 1.132 304 I CA 0.340 61.702 61.300 0.104 0.000 1.450 304 I CB 0.058 38.142 38.000 0.139 0.000 1.315 304 I HN 0.012 nan 8.210 nan 0.000 0.460 305 I N 1.270 121.780 120.570 -0.101 0.000 2.099 305 I HA -0.328 3.843 4.170 0.001 0.000 0.239 305 I C 2.790 178.804 176.117 -0.170 0.000 1.066 305 I CA 1.816 63.045 61.300 -0.118 0.000 1.324 305 I CB -0.478 37.353 38.000 -0.281 0.000 1.037 305 I HN 0.209 nan 8.210 nan 0.000 0.401 306 A N 1.037 123.560 122.820 -0.496 0.000 1.859 306 A HA -0.161 4.159 4.320 0.001 0.000 0.217 306 A C 0.126 177.622 177.584 -0.146 0.000 1.198 306 A CA 2.152 53.832 52.037 -0.595 0.000 0.629 306 A CB -2.172 16.145 19.000 -1.137 0.000 0.830 306 A HN 0.271 nan 8.150 nan 0.000 0.446 307 P HA -0.113 nan 4.420 nan 0.000 0.216 307 P C 1.713 179.030 177.300 0.029 0.000 1.150 307 P CA 1.791 64.929 63.100 0.063 0.000 0.843 307 P CB -0.128 31.609 31.700 0.062 0.000 0.787 308 S N -0.249 115.470 115.700 0.031 0.000 2.343 308 S HA -0.184 4.286 4.470 0.001 0.000 0.219 308 S C 1.789 176.353 174.600 -0.061 0.000 1.033 308 S CA 1.341 59.540 58.200 -0.001 0.000 1.014 308 S CB -0.898 62.348 63.200 0.077 0.000 0.915 308 S HN 0.355 nan 8.310 nan 0.000 0.435 309 E N 1.370 121.547 120.200 -0.039 0.000 2.153 309 E HA -0.108 4.243 4.350 0.001 0.000 0.194 309 E C 2.290 178.879 176.600 -0.019 0.000 0.988 309 E CA 0.885 57.252 56.400 -0.055 0.000 0.811 309 E CB -0.269 29.400 29.700 -0.051 0.000 0.746 309 E HN 0.497 nan 8.360 nan 0.000 0.466 310 A N 1.909 124.754 122.820 0.042 0.000 1.883 310 A HA -0.234 4.086 4.320 0.001 0.000 0.217 310 A C 2.420 179.976 177.584 -0.047 0.000 1.186 310 A CA 2.128 54.226 52.037 0.101 0.000 0.624 310 A CB -0.690 18.435 19.000 0.208 0.000 0.822 310 A HN 0.351 nan 8.150 nan 0.000 0.444 311 S N -1.070 114.590 115.700 -0.066 0.000 2.423 311 S HA -0.107 4.363 4.470 0.001 0.000 0.231 311 S C 2.087 176.628 174.600 -0.098 0.000 1.014 311 S CA 1.571 59.708 58.200 -0.106 0.000 0.965 311 S CB -0.565 62.582 63.200 -0.088 0.000 0.785 311 S HN 0.511 nan 8.310 nan 0.000 0.495 312 S N 2.239 117.886 115.700 -0.088 0.000 2.357 312 S HA -0.026 4.444 4.470 0.001 0.000 0.221 312 S C 1.872 176.427 174.600 -0.075 0.000 1.031 312 S CA 0.990 59.137 58.200 -0.089 0.000 0.982 312 S CB -0.716 62.424 63.200 -0.099 0.000 0.853 312 S HN 0.583 nan 8.310 nan 0.000 0.458 313 N N 0.900 119.570 118.700 -0.050 0.000 2.364 313 N HA 0.011 4.752 4.740 0.001 0.000 0.183 313 N C 0.835 176.327 175.510 -0.030 0.000 1.022 313 N CA 0.630 53.665 53.050 -0.024 0.000 0.883 313 N CB -0.256 38.249 38.487 0.029 0.000 0.965 313 N HN 0.306 nan 8.380 nan 0.000 0.438 314 L N -0.088 121.101 121.223 -0.055 0.000 2.667 314 L HA 0.293 4.634 4.340 0.001 0.000 0.232 314 L C 1.757 178.668 176.870 0.069 0.000 1.138 314 L CA 0.014 54.877 54.840 0.038 0.000 0.921 314 L CB -0.180 41.722 42.059 -0.262 0.000 1.180 314 L HN -0.047 nan 8.230 nan 0.000 0.487 315 A N 0.493 123.277 122.820 -0.060 0.000 2.070 315 A HA -0.172 4.148 4.320 0.001 0.000 0.220 315 A C 2.315 179.826 177.584 -0.121 0.000 1.159 315 A CA 1.345 53.336 52.037 -0.076 0.000 0.656 315 A CB -0.456 18.480 19.000 -0.107 0.000 0.800 315 A HN 0.563 nan 8.150 nan 0.000 0.453 316 R N -1.786 118.560 120.500 -0.256 0.000 2.276 316 R HA -0.011 4.329 4.340 0.001 0.000 0.203 316 R C -0.612 175.475 176.300 -0.355 0.000 1.017 316 R CA 0.254 56.151 56.100 -0.338 0.000 1.010 316 R CB -0.396 29.671 30.300 -0.388 0.000 0.900 316 R HN 0.415 nan 8.270 nan 0.000 0.469 317 Y N 2.804 123.179 120.300 0.124 0.000 2.600 317 Y HA 0.155 4.705 4.550 0.000 0.000 0.351 317 Y C -0.014 175.912 175.900 0.044 0.000 1.042 317 Y CA -1.125 57.058 58.100 0.138 0.000 1.333 317 Y CB 0.730 39.339 38.460 0.248 0.000 1.172 317 Y HN 0.276 nan 8.280 nan 0.000 0.517 318 D N -0.437 120.014 120.400 0.085 0.000 2.497 318 D HA 0.142 4.782 4.640 0.001 0.000 0.256 318 D C 1.439 177.761 176.300 0.037 0.000 1.273 318 D CA 0.291 54.368 54.000 0.128 0.000 0.812 318 D CB 0.045 40.969 40.800 0.206 0.000 1.190 318 D HN 0.553 nan 8.370 nan 0.000 0.524 319 G N 0.273 109.047 108.800 -0.044 0.000 2.148 319 G HA2 -0.315 3.645 3.960 0.001 0.000 0.254 319 G HA3 -0.315 3.645 3.960 0.001 0.000 0.254 319 G C 0.877 175.678 174.900 -0.165 0.000 0.981 319 G CA 0.585 45.620 45.100 -0.108 0.000 0.670 319 G HN 0.365 nan 8.290 nan 0.000 0.528 320 V N -0.247 119.560 119.914 -0.179 0.000 2.490 320 V HA 0.115 4.235 4.120 0.001 0.000 0.238 320 V C 2.459 178.452 176.094 -0.168 0.000 1.056 320 V CA 2.243 64.440 62.300 -0.171 0.000 1.075 320 V CB -0.144 31.603 31.823 -0.126 0.000 0.746 320 V HN 0.409 nan 8.190 nan 0.000 0.479 321 R N -0.790 119.531 120.500 -0.298 0.000 2.308 321 R HA 0.297 4.638 4.340 0.001 0.000 0.202 321 R C -0.098 176.171 176.300 -0.053 0.000 0.898 321 R CA 0.275 56.247 56.100 -0.214 0.000 1.046 321 R CB 0.350 30.521 30.300 -0.214 0.000 1.026 321 R HN 0.696 nan 8.270 nan 0.000 0.512 322 Y N -4.039 116.338 120.300 0.127 0.000 2.814 322 Y HA 0.508 5.059 4.550 0.001 0.000 0.348 322 Y C 0.239 176.255 175.900 0.193 0.000 1.245 322 Y CA -1.207 57.021 58.100 0.212 0.000 1.086 322 Y CB 0.222 38.899 38.460 0.363 0.000 1.373 322 Y HN 0.074 nan 8.280 nan 0.000 0.451 323 G N 0.339 109.473 108.800 0.557 0.000 2.641 323 G HA2 -0.326 3.634 3.960 0.001 0.000 0.254 323 G HA3 -0.326 3.634 3.960 0.001 0.000 0.254 323 G C -0.967 174.100 174.900 0.278 0.000 1.315 323 G CA 0.082 45.433 45.100 0.418 0.000 0.907 323 G HN 1.396 nan 8.290 nan 0.000 0.572 324 Y N 1.493 121.867 120.300 0.124 0.000 2.597 324 Y HA 0.505 5.055 4.550 0.000 0.000 0.336 324 Y C 0.895 176.811 175.900 0.026 0.000 1.216 324 Y CA 0.934 59.071 58.100 0.061 0.000 1.463 324 Y CB 0.533 39.006 38.460 0.022 0.000 1.303 324 Y HN 0.775 nan 8.280 nan 0.000 0.576 325 R N 4.710 124.829 120.500 -0.635 0.000 2.538 325 R HA 0.687 5.027 4.340 0.001 0.000 0.292 325 R C -1.175 174.677 176.300 -0.747 0.000 1.008 325 R CA -0.536 55.260 56.100 -0.507 0.000 0.896 325 R CB 1.096 31.253 30.300 -0.238 0.000 1.187 325 R HN 0.882 nan 8.270 nan 0.000 0.440 326 A N 3.243 125.807 122.820 -0.427 0.000 2.547 326 A HA 0.063 4.384 4.320 0.001 0.000 0.233 326 A C 0.342 177.926 177.584 -0.000 0.000 1.067 326 A CA 0.233 52.183 52.037 -0.145 0.000 0.763 326 A CB 0.373 19.425 19.000 0.087 0.000 1.007 326 A HN 0.985 nan 8.150 nan 0.000 0.506 327 K N 0.149 120.558 120.400 0.015 0.000 2.186 327 K HA -0.001 4.319 4.320 0.001 0.000 0.202 327 K C -0.091 176.481 176.600 -0.047 0.000 1.052 327 K CA 0.990 57.275 56.287 -0.002 0.000 0.965 327 K CB 0.125 32.616 32.500 -0.015 0.000 0.746 327 K HN 0.819 nan 8.250 nan 0.000 0.457 328 E N 0.297 120.505 120.200 0.015 0.000 2.145 328 E HA 0.246 4.596 4.350 0.001 0.000 0.270 328 E C -1.438 175.205 176.600 0.071 0.000 0.906 328 E CA -0.721 55.644 56.400 -0.059 0.000 0.761 328 E CB 1.256 30.950 29.700 -0.010 0.000 1.116 328 E HN 0.076 nan 8.360 nan 0.000 0.408 329 Y N -0.612 119.682 120.300 -0.009 0.000 2.474 329 Y HA 0.362 4.912 4.550 0.001 0.000 0.326 329 Y C -0.197 175.706 175.900 0.004 0.000 1.160 329 Y CA -1.063 57.037 58.100 -0.000 0.000 1.056 329 Y CB 0.932 39.379 38.460 -0.022 0.000 1.330 329 Y HN 0.178 nan 8.280 nan 0.000 0.447 330 K N 0.948 121.468 120.400 0.199 0.000 2.323 330 K HA 0.105 4.426 4.320 0.001 0.000 0.197 330 K C -0.704 175.996 176.600 0.166 0.000 1.043 330 K CA 1.078 57.440 56.287 0.125 0.000 0.997 330 K CB 0.195 32.746 32.500 0.085 0.000 0.807 330 K HN 0.842 nan 8.250 nan 0.000 0.497 331 D N -1.409 119.124 120.400 0.221 0.000 2.643 331 D HA 0.000 4.641 4.640 0.001 0.000 0.283 331 D C 0.443 176.796 176.300 0.088 0.000 1.242 331 D CA -0.775 53.320 54.000 0.158 0.000 0.863 331 D CB 0.273 41.156 40.800 0.139 0.000 1.382 331 D HN -0.177 nan 8.370 nan 0.000 0.444 332 I N -0.038 120.538 120.570 0.011 0.000 2.335 332 I HA -0.068 4.102 4.170 0.001 0.000 0.251 332 I C 1.770 177.836 176.117 -0.085 0.000 1.129 332 I CA 1.080 62.276 61.300 -0.173 0.000 1.402 332 I CB -0.373 37.538 38.000 -0.147 0.000 1.069 332 I HN 0.475 nan 8.210 nan 0.000 0.424 333 F N 1.410 121.374 119.950 0.023 0.000 2.075 333 F HA -0.235 4.293 4.527 0.001 0.000 0.297 333 F C 2.446 178.299 175.800 0.089 0.000 1.113 333 F CA 2.127 60.203 58.000 0.126 0.000 1.218 333 F CB -0.442 38.615 39.000 0.094 0.000 0.984 333 F HN 0.089 nan 8.300 nan 0.000 0.472 334 E N -0.010 120.333 120.200 0.238 0.000 2.085 334 E HA -0.298 4.053 4.350 0.001 0.000 0.194 334 E C 2.321 178.898 176.600 -0.038 0.000 0.994 334 E CA 1.537 58.011 56.400 0.123 0.000 0.801 334 E CB -0.324 29.505 29.700 0.216 0.000 0.743 334 E HN 0.507 nan 8.360 nan 0.000 0.453 335 M N -0.115 119.359 119.600 -0.210 0.000 2.082 335 M HA -0.247 4.233 4.480 0.001 0.000 0.258 335 M C 1.879 177.987 176.300 -0.320 0.000 1.069 335 M CA 1.673 56.654 55.300 -0.532 0.000 1.102 335 M CB -0.171 31.809 32.600 -1.034 0.000 1.336 335 M HN 0.114 nan 8.290 nan 0.000 0.404 336 Y N 0.054 120.194 120.300 -0.267 0.000 2.070 336 Y HA -0.189 4.361 4.550 0.001 0.000 0.280 336 Y C 2.687 178.455 175.900 -0.221 0.000 1.148 336 Y CA 1.804 59.760 58.100 -0.240 0.000 1.125 336 Y CB -1.287 37.010 38.460 -0.271 0.000 0.975 336 Y HN 0.356 nan 8.280 nan 0.000 0.492 337 A N -0.328 122.412 122.820 -0.134 0.000 2.015 337 A HA -0.137 4.183 4.320 0.001 0.000 0.219 337 A C 2.275 179.838 177.584 -0.036 0.000 1.163 337 A CA 1.414 53.354 52.037 -0.162 0.000 0.646 337 A CB -0.414 18.374 19.000 -0.353 0.000 0.806 337 A HN 0.420 nan 8.150 nan 0.000 0.448 338 R N -1.320 119.176 120.500 -0.008 0.000 2.075 338 R HA -0.014 4.326 4.340 0.001 0.000 0.220 338 R C 2.228 178.582 176.300 0.091 0.000 1.118 338 R CA 1.424 57.557 56.100 0.055 0.000 0.986 338 R CB -0.659 29.692 30.300 0.085 0.000 0.884 338 R HN 0.465 nan 8.270 nan 0.000 0.439 339 T N 1.125 115.718 114.554 0.065 0.000 2.653 339 T HA -0.205 4.145 4.350 0.001 0.000 0.268 339 T C 1.823 176.564 174.700 0.068 0.000 1.035 339 T CA 1.598 63.781 62.100 0.138 0.000 1.154 339 T CB -0.150 68.733 68.868 0.025 0.000 0.862 339 T HN 0.284 nan 8.240 nan 0.000 0.441 340 R N 0.622 121.106 120.500 -0.027 0.000 2.062 340 R HA 0.007 4.347 4.340 0.001 0.000 0.226 340 R C 2.539 178.833 176.300 -0.012 0.000 1.125 340 R CA 1.213 57.223 56.100 -0.150 0.000 0.966 340 R CB -0.332 30.004 30.300 0.060 0.000 0.861 340 R HN 0.412 nan 8.270 nan 0.000 0.433 341 D N 1.057 121.495 120.400 0.064 0.000 2.182 341 D HA -0.203 4.438 4.640 0.001 0.000 0.201 341 D C 1.155 177.480 176.300 0.042 0.000 0.986 341 D CA 1.291 55.340 54.000 0.082 0.000 0.847 341 D CB 0.260 41.100 40.800 0.068 0.000 0.942 341 D HN 0.323 nan 8.370 nan 0.000 0.467 342 E N -0.750 119.457 120.200 0.012 0.000 2.170 342 E HA 0.032 4.382 4.350 0.001 0.000 0.191 342 E C 1.981 178.436 176.600 -0.241 0.000 0.981 342 E CA 0.601 56.976 56.400 -0.042 0.000 0.830 342 E CB 0.134 29.885 29.700 0.086 0.000 0.775 342 E HN 0.301 nan 8.360 nan 0.000 0.470 343 G N 0.274 108.879 108.800 -0.325 0.000 2.662 343 G HA2 -0.023 3.938 3.960 0.001 0.000 0.212 343 G HA3 -0.023 3.938 3.960 0.001 0.000 0.212 343 G C 0.191 174.919 174.900 -0.288 0.000 1.141 343 G CA -0.186 44.616 45.100 -0.497 0.000 0.797 343 G HN -0.030 nan 8.290 nan 0.000 0.531 344 F N 1.455 121.371 119.950 -0.057 0.000 2.404 344 F HA 0.614 5.142 4.527 0.001 0.000 0.345 344 F C 1.100 176.864 175.800 -0.060 0.000 1.110 344 F CA -1.552 56.428 58.000 -0.032 0.000 1.130 344 F CB 1.137 40.127 39.000 -0.016 0.000 1.129 344 F HN 0.054 nan 8.300 nan 0.000 0.500 345 G N 3.092 111.977 108.800 0.143 0.000 2.653 345 G HA2 0.310 4.270 3.960 0.001 0.000 0.265 345 G HA3 0.310 4.270 3.960 0.001 0.000 0.265 345 G C -2.015 172.874 174.900 -0.020 0.000 1.237 345 G CA -0.974 44.142 45.100 0.027 0.000 0.946 345 G HN 0.425 nan 8.290 nan 0.000 0.522 346 P HA 0.008 nan 4.420 nan 0.000 0.218 346 P C 1.455 178.627 177.300 -0.214 0.000 1.152 346 P CA 0.751 63.795 63.100 -0.093 0.000 0.826 346 P CB 0.341 32.020 31.700 -0.035 0.000 0.790 347 E N 0.172 120.104 120.200 -0.447 0.000 2.077 347 E HA -0.122 4.228 4.350 0.001 0.000 0.193 347 E C 1.904 178.336 176.600 -0.281 0.000 0.989 347 E CA 1.073 57.174 56.400 -0.498 0.000 0.800 347 E CB -1.313 27.823 29.700 -0.940 0.000 0.746 347 E HN -0.104 nan 8.360 nan 0.000 0.452 348 V N 0.872 120.627 119.914 -0.264 0.000 2.295 348 V HA -0.271 3.849 4.120 0.001 0.000 0.246 348 V C 2.296 178.216 176.094 -0.290 0.000 1.049 348 V CA 2.198 64.331 62.300 -0.279 0.000 1.024 348 V CB -0.436 31.242 31.823 -0.242 0.000 0.648 348 V HN 0.256 nan 8.190 nan 0.000 0.447 349 K N -0.481 119.803 120.400 -0.193 0.000 2.103 349 K HA -0.175 4.146 4.320 0.001 0.000 0.207 349 K C 2.419 178.948 176.600 -0.118 0.000 1.048 349 K CA 1.400 57.605 56.287 -0.136 0.000 0.930 349 K CB -0.229 32.250 32.500 -0.035 0.000 0.716 349 K HN 0.358 nan 8.250 nan 0.000 0.444 350 R N 0.389 120.825 120.500 -0.107 0.000 2.081 350 R HA -0.087 4.254 4.340 0.001 0.000 0.235 350 R C 2.281 178.545 176.300 -0.060 0.000 1.131 350 R CA 1.420 57.480 56.100 -0.068 0.000 0.960 350 R CB -0.063 30.210 30.300 -0.044 0.000 0.856 350 R HN 0.153 nan 8.270 nan 0.000 0.436 351 R N -0.028 120.424 120.500 -0.080 0.000 2.153 351 R HA 0.046 4.386 4.340 0.001 0.000 0.218 351 R C 2.245 178.498 176.300 -0.079 0.000 1.072 351 R CA 0.730 56.799 56.100 -0.051 0.000 0.990 351 R CB -0.095 30.181 30.300 -0.041 0.000 0.889 351 R HN 0.222 nan 8.270 nan 0.000 0.452 352 I N 0.656 121.137 120.570 -0.148 0.000 2.179 352 I HA -0.311 3.860 4.170 0.001 0.000 0.242 352 I C 2.419 178.485 176.117 -0.084 0.000 1.088 352 I CA 1.298 62.505 61.300 -0.155 0.000 1.357 352 I CB -0.199 37.652 38.000 -0.248 0.000 1.051 352 I HN 0.160 nan 8.210 nan 0.000 0.409 353 M N -0.179 119.379 119.600 -0.071 0.000 2.067 353 M HA -0.231 4.250 4.480 0.001 0.000 0.260 353 M C 2.538 178.824 176.300 -0.024 0.000 1.069 353 M CA 1.835 57.108 55.300 -0.045 0.000 1.117 353 M CB -1.061 31.508 32.600 -0.053 0.000 1.334 353 M HN 0.252 nan 8.290 nan 0.000 0.407 354 L N 0.577 121.782 121.223 -0.029 0.000 2.042 354 L HA -0.103 4.237 4.340 0.001 0.000 0.210 354 L C 2.474 179.380 176.870 0.062 0.000 1.076 354 L CA 2.140 56.980 54.840 0.000 0.000 0.749 354 L CB -1.131 40.930 42.059 0.004 0.000 0.893 354 L HN 0.326 nan 8.230 nan 0.000 0.432 355 G N -1.803 107.011 108.800 0.025 0.000 2.459 355 G HA2 -0.358 3.603 3.960 0.001 0.000 0.217 355 G HA3 -0.358 3.603 3.960 0.001 0.000 0.217 355 G C 1.532 176.435 174.900 0.006 0.000 1.183 355 G CA 1.435 46.544 45.100 0.016 0.000 0.776 355 G HN 0.499 nan 8.290 nan 0.000 0.552 356 T N -1.869 112.683 114.554 -0.003 0.000 2.962 356 T HA -0.040 4.311 4.350 0.001 0.000 0.270 356 T C 2.039 176.747 174.700 0.013 0.000 1.088 356 T CA 1.278 63.370 62.100 -0.014 0.000 1.127 356 T CB -0.264 68.593 68.868 -0.018 0.000 0.883 356 T HN 0.232 nan 8.240 nan 0.000 0.493 357 F N 2.366 122.242 119.950 -0.123 0.000 2.118 357 F HA 0.348 4.875 4.527 0.000 0.000 0.293 357 F C 2.622 178.309 175.800 -0.189 0.000 1.102 357 F CA 0.740 58.625 58.000 -0.191 0.000 1.247 357 F CB -0.819 38.004 39.000 -0.294 0.000 1.017 357 F HN 0.216 nan 8.300 nan 0.000 0.475 358 A N 0.731 123.481 122.820 -0.117 0.000 1.997 358 A HA -0.204 4.116 4.320 0.001 0.000 0.221 358 A C 2.121 179.692 177.584 -0.022 0.000 1.172 358 A CA 2.204 54.166 52.037 -0.124 0.000 0.645 358 A CB -1.206 17.864 19.000 0.116 0.000 0.813 358 A HN 0.565 nan 8.150 nan 0.000 0.454 359 L N -0.046 121.161 121.223 -0.027 0.000 2.590 359 L HA 0.069 4.409 4.340 0.001 0.000 0.227 359 L C 1.251 178.117 176.870 -0.007 0.000 1.099 359 L CA 0.305 55.174 54.840 0.048 0.000 0.872 359 L CB -0.008 42.006 42.059 -0.075 0.000 1.088 359 L HN 0.458 nan 8.230 nan 0.000 0.479 360 S N 1.133 116.787 115.700 -0.077 0.000 2.549 360 S HA 0.369 4.839 4.470 0.001 0.000 0.286 360 S C 0.474 175.074 174.600 -0.001 0.000 1.314 360 S CA -0.579 57.588 58.200 -0.055 0.000 1.062 360 S CB 1.074 64.239 63.200 -0.059 0.000 0.865 360 S HN 0.186 nan 8.310 nan 0.000 0.498 361 A N 2.898 125.703 122.820 -0.025 0.000 2.511 361 A HA 0.539 4.860 4.320 0.001 0.000 0.242 361 A C 1.558 179.113 177.584 -0.050 0.000 1.069 361 A CA 0.131 52.148 52.037 -0.034 0.000 0.763 361 A CB -1.163 17.802 19.000 -0.059 0.000 1.001 361 A HN 2.439 nan 8.150 nan 0.000 0.498 362 G N 0.452 109.190 108.800 -0.103 0.000 2.284 362 G HA2 -0.291 3.670 3.960 0.001 0.000 0.230 362 G HA3 -0.291 3.670 3.960 0.001 0.000 0.230 362 G C 0.496 175.055 174.900 -0.568 0.000 1.021 362 G CA 0.950 45.854 45.100 -0.326 0.000 0.619 362 G HN 0.912 nan 8.290 nan 0.000 0.510 363 Y N -1.601 118.646 120.300 -0.088 0.000 2.432 363 Y HA 0.347 4.897 4.550 0.000 0.000 0.252 363 Y C 1.994 177.909 175.900 0.025 0.000 1.097 363 Y CA 0.215 58.238 58.100 -0.128 0.000 1.250 363 Y CB -0.267 37.777 38.460 -0.693 0.000 1.245 363 Y HN 0.278 nan 8.280 nan 0.000 0.522 364 Y N 1.711 122.027 120.300 0.026 0.000 2.151 364 Y HA -0.303 4.248 4.550 0.000 0.000 0.284 364 Y C 1.784 177.754 175.900 0.116 0.000 1.166 364 Y CA 2.098 60.236 58.100 0.064 0.000 1.163 364 Y CB -0.068 38.397 38.460 0.008 0.000 0.974 364 Y HN 0.046 nan 8.280 nan 0.000 0.511 365 D N 0.121 120.543 120.400 0.038 0.000 2.097 365 D HA -0.170 4.470 4.640 0.001 0.000 0.195 365 D C 2.167 178.422 176.300 -0.076 0.000 0.989 365 D CA 1.590 55.558 54.000 -0.053 0.000 0.827 365 D CB -0.453 40.359 40.800 0.021 0.000 0.966 365 D HN 0.503 nan 8.370 nan 0.000 0.456 366 A N -0.982 121.847 122.820 0.014 0.000 2.067 366 A HA -0.036 4.285 4.320 0.001 0.000 0.217 366 A C 1.344 178.826 177.584 -0.170 0.000 1.156 366 A CA 0.748 52.762 52.037 -0.039 0.000 0.683 366 A CB -0.149 18.880 19.000 0.048 0.000 0.808 366 A HN 0.169 nan 8.150 nan 0.000 0.455 367 Y N -3.206 117.070 120.300 -0.039 0.000 2.740 367 Y HA 0.180 4.730 4.550 0.001 0.000 0.199 367 Y C 2.108 177.959 175.900 -0.082 0.000 0.981 367 Y CA 0.822 58.916 58.100 -0.010 0.000 1.479 367 Y CB -0.959 37.538 38.460 0.060 0.000 1.152 367 Y HN 0.196 nan 8.280 nan 0.000 0.472 368 Y N 0.476 120.749 120.300 -0.045 0.000 2.128 368 Y HA -0.280 4.270 4.550 0.001 0.000 0.284 368 Y C 2.341 178.052 175.900 -0.314 0.000 1.154 368 Y CA 1.705 59.699 58.100 -0.176 0.000 1.149 368 Y CB -0.633 37.739 38.460 -0.147 0.000 0.976 368 Y HN 0.225 nan 8.280 nan 0.000 0.505 369 L N 0.969 121.902 121.223 -0.483 0.000 1.994 369 L HA -0.180 4.160 4.340 0.001 0.000 0.208 369 L C 2.417 179.105 176.870 -0.304 0.000 1.071 369 L CA 2.358 56.933 54.840 -0.442 0.000 0.745 369 L CB -1.111 40.665 42.059 -0.472 0.000 0.892 369 L HN 0.206 nan 8.230 nan 0.000 0.431 370 K N -0.264 119.985 120.400 -0.250 0.000 2.044 370 K HA -0.162 4.158 4.320 0.001 0.000 0.210 370 K C 1.977 178.442 176.600 -0.226 0.000 1.049 370 K CA 1.803 57.965 56.287 -0.209 0.000 0.927 370 K CB -0.593 31.791 32.500 -0.194 0.000 0.713 370 K HN 0.436 nan 8.250 nan 0.000 0.443 371 A N 0.257 122.929 122.820 -0.247 0.000 1.972 371 A HA -0.153 4.168 4.320 0.001 0.000 0.219 371 A C 2.003 179.417 177.584 -0.285 0.000 1.169 371 A CA 1.370 53.264 52.037 -0.237 0.000 0.635 371 A CB -0.426 18.443 19.000 -0.218 0.000 0.810 371 A HN 0.388 nan 8.150 nan 0.000 0.446 372 Q N -0.353 119.219 119.800 -0.380 0.000 2.297 372 Q HA -0.056 4.284 4.340 0.001 0.000 0.204 372 Q C 1.756 177.616 176.000 -0.233 0.000 0.962 372 Q CA 1.155 56.744 55.803 -0.357 0.000 0.879 372 Q CB -0.079 28.395 28.738 -0.439 0.000 0.947 372 Q HN 0.719 nan 8.270 nan 0.000 0.462 373 K N -0.250 120.022 120.400 -0.214 0.000 2.005 373 K HA -0.027 4.294 4.320 0.001 0.000 0.206 373 K C 2.109 178.600 176.600 -0.182 0.000 1.044 373 K CA 0.813 56.996 56.287 -0.173 0.000 0.942 373 K CB 0.052 32.456 32.500 -0.160 0.000 0.727 373 K HN -0.083 nan 8.250 nan 0.000 0.439 374 V N 1.880 121.676 119.914 -0.196 0.000 2.453 374 V HA -0.295 3.825 4.120 0.001 0.000 0.252 374 V C 2.327 178.325 176.094 -0.161 0.000 1.068 374 V CA 1.958 64.135 62.300 -0.205 0.000 1.070 374 V CB -0.606 31.107 31.823 -0.184 0.000 0.664 374 V HN 0.329 nan 8.190 nan 0.000 0.461 375 R N 0.202 120.616 120.500 -0.144 0.000 2.115 375 R HA -0.164 4.176 4.340 0.001 0.000 0.230 375 R C 2.448 178.690 176.300 -0.095 0.000 1.111 375 R CA 1.651 57.684 56.100 -0.111 0.000 0.976 375 R CB -0.228 29.983 30.300 -0.148 0.000 0.870 375 R HN 0.470 nan 8.270 nan 0.000 0.445 376 R N 0.311 120.742 120.500 -0.115 0.000 2.093 376 R HA -0.002 4.339 4.340 0.001 0.000 0.224 376 R C 2.209 178.453 176.300 -0.093 0.000 1.101 376 R CA 0.947 56.995 56.100 -0.086 0.000 0.979 376 R CB -0.161 30.087 30.300 -0.087 0.000 0.877 376 R HN 0.239 nan 8.270 nan 0.000 0.441 377 L N 0.545 121.658 121.223 -0.184 0.000 1.990 377 L HA -0.263 4.077 4.340 0.001 0.000 0.213 377 L C 2.437 179.207 176.870 -0.165 0.000 1.072 377 L CA 1.644 56.287 54.840 -0.327 0.000 0.755 377 L CB -0.525 41.099 42.059 -0.725 0.000 0.889 377 L HN 0.267 nan 8.230 nan 0.000 0.432 378 I N -0.583 119.950 120.570 -0.062 0.000 2.179 378 I HA -0.285 3.885 4.170 0.001 0.000 0.242 378 I C 2.546 178.803 176.117 0.235 0.000 1.088 378 I CA 1.681 63.067 61.300 0.143 0.000 1.357 378 I CB -0.596 37.498 38.000 0.157 0.000 1.051 378 I HN 0.300 nan 8.210 nan 0.000 0.409 379 T N 0.735 115.361 114.554 0.120 0.000 2.720 379 T HA -0.164 4.186 4.350 0.001 0.000 0.268 379 T C 1.712 176.529 174.700 0.194 0.000 1.037 379 T CA 1.523 63.704 62.100 0.135 0.000 1.144 379 T CB -0.355 68.550 68.868 0.062 0.000 0.864 379 T HN 0.303 nan 8.240 nan 0.000 0.444 380 N N 1.207 119.980 118.700 0.121 0.000 2.188 380 N HA -0.086 4.655 4.740 0.001 0.000 0.184 380 N C 1.544 177.116 175.510 0.103 0.000 1.018 380 N CA 0.991 54.103 53.050 0.103 0.000 0.858 380 N CB -0.507 38.010 38.487 0.051 0.000 0.989 380 N HN 0.367 nan 8.380 nan 0.000 0.426 381 D N 0.488 120.954 120.400 0.110 0.000 2.126 381 D HA -0.171 4.469 4.640 0.001 0.000 0.190 381 D C 1.866 178.093 176.300 -0.122 0.000 1.001 381 D CA 1.048 55.041 54.000 -0.010 0.000 0.841 381 D CB -0.624 40.145 40.800 -0.053 0.000 0.949 381 D HN 0.252 nan 8.370 nan 0.000 0.446 382 F N 0.464 120.346 119.950 -0.112 0.000 2.134 382 F HA -0.060 4.467 4.527 0.000 0.000 0.299 382 F C 2.497 178.227 175.800 -0.116 0.000 1.097 382 F CA 0.595 58.453 58.000 -0.237 0.000 1.264 382 F CB -0.360 38.560 39.000 -0.133 0.000 1.001 382 F HN -0.076 nan 8.300 nan 0.000 0.479 383 L N -0.032 121.340 121.223 0.249 0.000 2.083 383 L HA -0.249 4.092 4.340 0.001 0.000 0.209 383 L C 2.401 179.371 176.870 0.167 0.000 1.083 383 L CA 1.556 56.554 54.840 0.263 0.000 0.752 383 L CB -0.581 41.604 42.059 0.210 0.000 0.899 383 L HN 0.125 nan 8.230 nan 0.000 0.433 384 K N 0.572 121.011 120.400 0.065 0.000 2.007 384 K HA -0.092 4.228 4.320 0.001 0.000 0.206 384 K C 2.149 178.728 176.600 -0.035 0.000 1.047 384 K CA 1.286 57.583 56.287 0.016 0.000 0.937 384 K CB -0.216 32.278 32.500 -0.010 0.000 0.718 384 K HN 0.140 nan 8.250 nan 0.000 0.438 385 A N 0.219 122.944 122.820 -0.158 0.000 1.986 385 A HA -0.121 4.199 4.320 0.001 0.000 0.220 385 A C 1.756 179.246 177.584 -0.157 0.000 1.171 385 A CA 1.348 53.231 52.037 -0.257 0.000 0.640 385 A CB -0.839 17.854 19.000 -0.511 0.000 0.811 385 A HN 0.425 nan 8.150 nan 0.000 0.451 386 F N 0.153 120.102 119.950 -0.002 0.000 2.802 386 F HA 0.070 4.597 4.527 0.001 0.000 0.300 386 F C 2.045 177.861 175.800 0.027 0.000 1.168 386 F CA 0.647 58.662 58.000 0.024 0.000 1.433 386 F CB -0.343 38.685 39.000 0.046 0.000 1.115 386 F HN 0.371 nan 8.300 nan 0.000 0.582 387 E N -0.145 120.159 120.200 0.172 0.000 2.158 387 E HA -0.130 4.221 4.350 0.001 0.000 0.191 387 E C 1.757 178.408 176.600 0.086 0.000 0.982 387 E CA 0.946 57.414 56.400 0.113 0.000 0.823 387 E CB 0.025 29.769 29.700 0.072 0.000 0.766 387 E HN 0.491 nan 8.360 nan 0.000 0.468 388 E N -0.372 119.867 120.200 0.066 0.000 2.276 388 E HA 0.079 4.429 4.350 0.001 0.000 0.193 388 E C 0.051 176.693 176.600 0.070 0.000 0.983 388 E CA 0.133 56.560 56.400 0.045 0.000 0.861 388 E CB 1.208 30.910 29.700 0.003 0.000 0.817 388 E HN -0.078 nan 8.360 nan 0.000 0.485 389 V N 0.721 120.704 119.914 0.116 0.000 3.130 389 V HA 0.078 4.199 4.120 0.001 0.000 0.310 389 V C -0.649 175.610 176.094 0.275 0.000 1.158 389 V CA -0.607 61.782 62.300 0.147 0.000 1.029 389 V CB 2.366 34.233 31.823 0.074 0.000 1.057 389 V HN -0.003 nan 8.190 nan 0.000 0.436 390 D N 0.558 121.109 120.400 0.252 0.000 2.422 390 D HA 0.162 4.803 4.640 0.001 0.000 0.218 390 D C 0.075 176.541 176.300 0.276 0.000 1.047 390 D CA 1.103 55.243 54.000 0.232 0.000 0.885 390 D CB 1.460 42.355 40.800 0.157 0.000 1.035 390 D HN 0.432 nan 8.370 nan 0.000 0.502 391 V N -1.472 118.645 119.914 0.339 0.000 3.159 391 V HA 0.549 4.669 4.120 0.001 0.000 0.308 391 V C -0.865 175.422 176.094 0.323 0.000 1.190 391 V CA -1.072 61.453 62.300 0.375 0.000 1.037 391 V CB 2.962 34.910 31.823 0.209 0.000 1.060 391 V HN -0.170 nan 8.190 nan 0.000 0.437 392 I N 1.856 122.603 120.570 0.296 0.000 2.436 392 I HA 0.794 4.965 4.170 0.001 0.000 0.289 392 I C 0.167 176.380 176.117 0.160 0.000 1.010 392 I CA -0.603 60.774 61.300 0.130 0.000 1.098 392 I CB 1.797 39.804 38.000 0.013 0.000 1.266 392 I HN 1.035 nan 8.210 nan 0.000 0.434 393 A N 4.924 127.840 122.820 0.161 0.000 2.355 393 A HA 0.919 5.239 4.320 0.001 0.000 0.324 393 A C -0.367 177.332 177.584 0.192 0.000 1.117 393 A CA -0.370 51.815 52.037 0.248 0.000 0.785 393 A CB 1.727 20.950 19.000 0.372 0.000 1.254 393 A HN 0.778 nan 8.150 nan 0.000 0.453 394 S N 0.542 116.207 115.700 -0.058 0.000 2.636 394 S HA 0.768 5.238 4.470 0.001 0.000 0.268 394 S C -3.427 170.668 174.600 -0.842 0.000 1.159 394 S CA -1.232 56.562 58.200 -0.677 0.000 0.815 394 S CB 1.003 64.000 63.200 -0.338 0.000 1.130 394 S HN 0.354 nan 8.310 nan 0.000 0.471 395 P HA 0.239 nan 4.420 nan 0.000 0.268 395 P C 0.576 177.668 177.300 -0.346 0.000 1.208 395 P CA -0.019 62.770 63.100 -0.517 0.000 0.777 395 P CB 0.209 31.666 31.700 -0.405 0.000 0.875 396 T N -0.619 113.791 114.554 -0.240 0.000 2.942 396 T HA 0.019 4.369 4.350 0.001 0.000 0.265 396 T C 0.468 175.067 174.700 -0.169 0.000 1.062 396 T CA 1.315 63.301 62.100 -0.189 0.000 1.139 396 T CB -0.227 68.546 68.868 -0.158 0.000 0.883 396 T HN 0.495 nan 8.240 nan 0.000 0.468 397 T N 1.398 115.875 114.554 -0.129 0.000 2.933 397 T HA 0.347 4.698 4.350 0.001 0.000 0.305 397 T C -2.265 172.402 174.700 -0.056 0.000 1.092 397 T CA -1.326 60.739 62.100 -0.060 0.000 1.008 397 T CB 2.531 71.464 68.868 0.108 0.000 1.102 397 T HN -0.197 nan 8.240 nan 0.000 0.469 398 P HA 0.035 nan 4.420 nan 0.000 0.225 398 P C 0.652 177.943 177.300 -0.016 0.000 1.156 398 P CA 0.759 63.823 63.100 -0.060 0.000 0.787 398 P CB 0.034 31.681 31.700 -0.088 0.000 0.802 399 T N -3.491 111.090 114.554 0.045 0.000 2.907 399 T HA 0.538 4.888 4.350 0.001 0.000 0.290 399 T C -0.053 174.684 174.700 0.060 0.000 1.066 399 T CA -0.999 61.129 62.100 0.047 0.000 1.012 399 T CB 0.900 69.796 68.868 0.046 0.000 1.184 399 T HN -0.195 nan 8.240 nan 0.000 0.522 400 L N 1.348 122.547 121.223 -0.041 0.000 2.473 400 L HA 0.341 4.681 4.340 0.001 0.000 0.268 400 L C -2.038 174.588 176.870 -0.406 0.000 1.215 400 L CA -2.112 52.617 54.840 -0.186 0.000 0.823 400 L CB -0.012 41.956 42.059 -0.151 0.000 1.099 400 L HN 0.514 nan 8.230 nan 0.000 0.483 401 P HA -0.132 nan 4.420 nan 0.000 0.257 401 P C -0.857 176.079 177.300 -0.607 0.000 1.153 401 P CA 0.653 62.892 63.100 -1.434 0.000 0.762 401 P CB -0.032 31.104 31.700 -0.939 0.000 0.743 402 F N 1.557 121.245 119.950 -0.437 0.000 2.403 402 F HA 0.591 5.119 4.527 0.000 0.000 0.326 402 F C 0.675 176.351 175.800 -0.206 0.000 1.099 402 F CA -1.242 56.630 58.000 -0.213 0.000 1.036 402 F CB 0.733 39.669 39.000 -0.105 0.000 1.336 402 F HN -0.026 nan 8.300 nan 0.000 0.497 403 K N 0.268 120.690 120.400 0.037 0.000 2.087 403 K HA 0.339 4.659 4.320 0.001 0.000 0.255 403 K C -1.040 175.530 176.600 -0.049 0.000 0.988 403 K CA -0.723 55.541 56.287 -0.039 0.000 0.915 403 K CB 0.765 33.306 32.500 0.069 0.000 1.043 403 K HN 0.408 nan 8.250 nan 0.000 0.457 404 F N 0.509 120.457 119.950 -0.003 0.000 2.629 404 F HA -0.029 4.498 4.527 0.001 0.000 0.369 404 F C 1.778 177.594 175.800 0.026 0.000 1.125 404 F CA 1.817 59.817 58.000 -0.000 0.000 1.330 404 F CB 0.050 39.039 39.000 -0.018 0.000 1.071 404 F HN 0.909 nan 8.300 nan 0.000 0.595 405 G N 1.397 110.302 108.800 0.175 0.000 2.212 405 G HA2 -0.359 3.601 3.960 0.001 0.000 0.266 405 G HA3 -0.359 3.601 3.960 0.001 0.000 0.266 405 G C 1.130 176.073 174.900 0.071 0.000 0.978 405 G CA 0.553 45.712 45.100 0.098 0.000 0.632 405 G HN 0.680 nan 8.290 nan 0.000 0.537 406 E N -0.213 120.049 120.200 0.103 0.000 2.152 406 E HA 0.001 4.351 4.350 0.001 0.000 0.192 406 E C 2.019 178.618 176.600 -0.001 0.000 0.983 406 E CA 0.642 57.086 56.400 0.075 0.000 0.818 406 E CB -0.025 29.765 29.700 0.150 0.000 0.758 406 E HN 0.541 nan 8.360 nan 0.000 0.467 407 R N -0.011 120.493 120.500 0.007 0.000 2.659 407 R HA 0.246 4.586 4.340 0.001 0.000 0.418 407 R C 1.075 177.340 176.300 -0.059 0.000 1.076 407 R CA -0.041 56.007 56.100 -0.087 0.000 1.093 407 R CB 0.642 30.826 30.300 -0.194 0.000 1.400 407 R HN 0.088 nan 8.270 nan 0.000 0.583 408 L N -0.326 120.878 121.223 -0.032 0.000 2.556 408 L HA 0.133 4.473 4.340 0.001 0.000 0.226 408 L C 2.030 178.899 176.870 -0.000 0.000 1.089 408 L CA 0.212 55.042 54.840 -0.018 0.000 0.864 408 L CB 0.072 42.110 42.059 -0.036 0.000 1.067 408 L HN 0.141 nan 8.230 nan 0.000 0.477 409 E N 1.096 121.283 120.200 -0.020 0.000 2.000 409 E HA -0.170 4.180 4.350 0.001 0.000 0.199 409 E C 0.744 177.321 176.600 -0.038 0.000 1.011 409 E CA 1.143 57.530 56.400 -0.023 0.000 0.836 409 E CB -0.131 29.551 29.700 -0.030 0.000 0.778 409 E HN 0.204 nan 8.360 nan 0.000 0.462 410 N N 0.527 119.184 118.700 -0.072 0.000 2.422 410 N HA 0.074 4.814 4.740 0.001 0.000 0.266 410 N C -2.160 173.245 175.510 -0.175 0.000 1.007 410 N CA -1.886 51.104 53.050 -0.101 0.000 0.941 410 N CB 1.555 39.982 38.487 -0.101 0.000 1.115 410 N HN -0.258 nan 8.380 nan 0.000 0.492 411 P HA -0.094 nan 4.420 nan 0.000 0.217 411 P C 1.399 178.193 177.300 -0.843 0.000 1.148 411 P CA 1.084 63.949 63.100 -0.391 0.000 0.828 411 P CB 0.351 31.888 31.700 -0.271 0.000 0.783 412 I N -0.367 119.868 120.570 -0.557 0.000 2.264 412 I HA -0.256 3.914 4.170 0.001 0.000 0.248 412 I C 2.218 178.106 176.117 -0.381 0.000 1.111 412 I CA 1.571 62.605 61.300 -0.443 0.000 1.382 412 I CB -0.595 37.328 38.000 -0.128 0.000 1.060 412 I HN 0.003 nan 8.210 nan 0.000 0.418 413 E N -0.118 119.898 120.200 -0.307 0.000 2.153 413 E HA -0.281 4.069 4.350 0.001 0.000 0.194 413 E C 2.040 178.462 176.600 -0.295 0.000 0.988 413 E CA 1.264 57.511 56.400 -0.254 0.000 0.811 413 E CB -0.111 29.462 29.700 -0.211 0.000 0.746 413 E HN 0.339 nan 8.360 nan 0.000 0.466 414 M N -0.298 119.095 119.600 -0.345 0.000 2.132 414 M HA -0.137 4.343 4.480 0.001 0.000 0.263 414 M C 1.342 177.563 176.300 -0.132 0.000 1.065 414 M CA 1.515 56.671 55.300 -0.240 0.000 1.122 414 M CB -0.113 32.390 32.600 -0.162 0.000 1.365 414 M HN 0.066 nan 8.290 nan 0.000 0.411 415 Y N -0.064 120.153 120.300 -0.138 0.000 2.224 415 Y HA -0.084 4.466 4.550 0.000 0.000 0.289 415 Y C 2.044 177.893 175.900 -0.085 0.000 1.146 415 Y CA 0.977 58.966 58.100 -0.184 0.000 1.182 415 Y CB -1.539 36.523 38.460 -0.664 0.000 0.983 415 Y HN 0.177 nan 8.280 nan 0.000 0.524 416 L N -0.586 120.629 121.223 -0.013 0.000 2.447 416 L HA -0.198 4.143 4.340 0.001 0.000 0.225 416 L C 2.069 178.875 176.870 -0.107 0.000 1.148 416 L CA 0.951 55.743 54.840 -0.079 0.000 0.808 416 L CB -0.589 41.391 42.059 -0.132 0.000 0.928 416 L HN 0.149 nan 8.230 nan 0.000 0.448 417 S N -0.677 114.969 115.700 -0.090 0.000 2.447 417 S HA -0.132 4.339 4.470 0.001 0.000 0.233 417 S C 1.184 175.740 174.600 -0.073 0.000 1.006 417 S CA 0.981 59.133 58.200 -0.080 0.000 0.957 417 S CB -0.117 63.067 63.200 -0.026 0.000 0.773 417 S HN 0.472 nan 8.310 nan 0.000 0.507 418 D N 1.389 121.764 120.400 -0.042 0.000 2.349 418 D HA 0.164 4.804 4.640 0.001 0.000 0.214 418 D C 1.698 177.921 176.300 -0.129 0.000 1.063 418 D CA 0.017 53.965 54.000 -0.086 0.000 0.847 418 D CB -0.067 40.688 40.800 -0.074 0.000 0.933 418 D HN 0.519 nan 8.370 nan 0.000 0.513 419 I N -2.142 118.345 120.570 -0.140 0.000 2.530 419 I HA -0.189 3.982 4.170 0.001 0.000 0.257 419 I C 1.539 177.553 176.117 -0.172 0.000 1.179 419 I CA 1.276 62.459 61.300 -0.196 0.000 1.440 419 I CB -0.220 37.561 38.000 -0.365 0.000 1.087 419 I HN -0.089 nan 8.210 nan 0.000 0.440 420 L N 0.777 121.884 121.223 -0.194 0.000 2.664 420 L HA 0.112 4.452 4.340 0.001 0.000 0.233 420 L C 2.197 178.979 176.870 -0.146 0.000 1.113 420 L CA 0.710 55.406 54.840 -0.240 0.000 0.896 420 L CB 0.114 41.969 42.059 -0.340 0.000 1.163 420 L HN 0.407 nan 8.230 nan 0.000 0.497 421 T N -4.272 110.199 114.554 -0.138 0.000 3.042 421 T HA -0.026 4.324 4.350 0.001 0.000 0.245 421 T C 1.725 176.336 174.700 -0.149 0.000 1.029 421 T CA 0.773 62.792 62.100 -0.136 0.000 1.120 421 T CB -0.464 68.308 68.868 -0.159 0.000 0.917 421 T HN 0.061 nan 8.240 nan 0.000 0.467 422 V N 0.532 120.321 119.914 -0.208 0.000 2.407 422 V HA 0.064 4.184 4.120 0.001 0.000 0.248 422 V C -0.457 175.570 176.094 -0.112 0.000 1.055 422 V CA 0.825 62.955 62.300 -0.283 0.000 1.049 422 V CB -2.290 29.250 31.823 -0.472 0.000 0.662 422 V HN 0.254 nan 8.190 nan 0.000 0.455 423 P HA -0.183 nan 4.420 nan 0.000 0.217 423 P C 1.845 179.036 177.300 -0.183 0.000 1.151 423 P CA 2.708 65.827 63.100 0.031 0.000 0.849 423 P CB -0.279 31.596 31.700 0.291 0.000 0.787 424 A N -1.128 121.586 122.820 -0.176 0.000 2.014 424 A HA -0.153 4.167 4.320 0.001 0.000 0.218 424 A C 1.947 179.415 177.584 -0.193 0.000 1.163 424 A CA 1.673 53.555 52.037 -0.258 0.000 0.652 424 A CB -1.402 17.502 19.000 -0.160 0.000 0.808 424 A HN 0.200 nan 8.150 nan 0.000 0.449 425 N N 0.166 118.790 118.700 -0.125 0.000 2.171 425 N HA -0.006 4.734 4.740 0.001 0.000 0.184 425 N C 1.522 176.970 175.510 -0.104 0.000 1.021 425 N CA 1.122 54.125 53.050 -0.078 0.000 0.854 425 N CB -0.335 38.142 38.487 -0.016 0.000 0.994 425 N HN 0.409 nan 8.380 nan 0.000 0.426 426 L N 0.411 121.579 121.223 -0.091 0.000 2.013 426 L HA -0.174 4.166 4.340 0.001 0.000 0.212 426 L C 2.123 178.913 176.870 -0.135 0.000 1.073 426 L CA 1.317 56.097 54.840 -0.099 0.000 0.753 426 L CB -0.529 41.501 42.059 -0.048 0.000 0.890 426 L HN 0.265 nan 8.230 nan 0.000 0.432 427 A N -0.712 121.995 122.820 -0.189 0.000 2.238 427 A HA 0.264 4.584 4.320 0.001 0.000 0.208 427 A C 1.708 179.269 177.584 -0.038 0.000 1.177 427 A CA 0.680 52.616 52.037 -0.168 0.000 0.804 427 A CB -0.437 18.312 19.000 -0.418 0.000 0.823 427 A HN 0.558 nan 8.150 nan 0.000 0.482 428 G N -0.873 107.877 108.800 -0.083 0.000 2.179 428 G HA2 -0.238 3.722 3.960 0.001 0.000 0.257 428 G HA3 -0.238 3.722 3.960 0.001 0.000 0.257 428 G C 0.045 174.958 174.900 0.022 0.000 1.010 428 G CA 0.578 45.673 45.100 -0.008 0.000 0.736 428 G HN 0.468 nan 8.290 nan 0.000 0.513 429 L N 1.068 122.206 121.223 -0.141 0.000 2.399 429 L HA 0.504 4.844 4.340 0.001 0.000 0.266 429 L C -1.425 175.339 176.870 -0.178 0.000 1.114 429 L CA -2.427 52.258 54.840 -0.258 0.000 0.804 429 L CB 1.032 42.883 42.059 -0.348 0.000 1.146 429 L HN -0.073 nan 8.230 nan 0.000 0.451 430 P HA 0.284 nan 4.420 nan 0.000 0.274 430 P C -1.343 175.894 177.300 -0.105 0.000 1.231 430 P CA -0.318 62.700 63.100 -0.136 0.000 0.790 430 P CB 1.246 32.865 31.700 -0.135 0.000 0.951 431 A N 2.681 125.444 122.820 -0.094 0.000 2.513 431 A HA 0.628 4.948 4.320 0.001 0.000 0.296 431 A C -1.403 176.129 177.584 -0.087 0.000 1.052 431 A CA -0.538 51.457 52.037 -0.069 0.000 0.714 431 A CB 0.895 19.855 19.000 -0.067 0.000 1.279 431 A HN 0.520 nan 8.150 nan 0.000 0.397 432 I N 1.260 121.789 120.570 -0.069 0.000 2.530 432 I HA 0.603 4.773 4.170 0.001 0.000 0.297 432 I C 0.021 176.086 176.117 -0.087 0.000 1.011 432 I CA -0.365 60.886 61.300 -0.081 0.000 1.107 432 I CB 2.009 39.978 38.000 -0.051 0.000 1.285 432 I HN 0.569 nan 8.210 nan 0.000 0.436 433 S N 7.133 122.770 115.700 -0.105 0.000 2.433 433 S HA 0.626 5.096 4.470 0.001 0.000 0.310 433 S C -0.717 173.820 174.600 -0.105 0.000 1.097 433 S CA -0.569 57.561 58.200 -0.117 0.000 1.103 433 S CB 0.410 63.544 63.200 -0.110 0.000 0.992 433 S HN 0.347 nan 8.310 nan 0.000 0.469 434 I N 6.382 126.852 120.570 -0.165 0.000 2.569 434 I HA 0.511 4.681 4.170 0.001 0.000 0.296 434 I C -2.428 173.537 176.117 -0.254 0.000 1.028 434 I CA -2.936 58.267 61.300 -0.161 0.000 1.082 434 I CB 1.676 39.598 38.000 -0.131 0.000 1.264 434 I HN 0.379 nan 8.210 nan 0.000 0.429 435 P HA 0.355 nan 4.420 nan 0.000 0.282 435 P C 0.666 178.025 177.300 0.099 0.000 1.262 435 P CA -0.050 62.950 63.100 -0.168 0.000 0.773 435 P CB 0.575 32.181 31.700 -0.156 0.000 0.879 436 I N 0.081 120.571 120.570 -0.133 0.000 4.323 436 I HA 0.682 4.853 4.170 0.001 0.000 0.328 436 I C 0.357 176.329 176.117 -0.242 0.000 1.310 436 I CA -0.264 60.950 61.300 -0.143 0.000 1.186 436 I CB 0.554 38.127 38.000 -0.711 0.000 1.130 436 I HN 0.224 nan 8.210 nan 0.000 0.411 437 A N 0.158 122.822 122.820 -0.261 0.000 2.544 437 A HA 0.619 4.940 4.320 0.001 0.000 0.291 437 A C -2.610 174.826 177.584 -0.247 0.000 1.055 437 A CA -0.434 51.507 52.037 -0.160 0.000 0.651 437 A CB 0.368 19.308 19.000 -0.100 0.000 1.296 437 A HN 0.273 nan 8.150 nan 0.000 0.431 438 W N 1.025 122.327 121.300 0.003 0.000 2.538 438 W HA 0.661 5.321 4.660 0.000 0.000 0.322 438 W C -0.275 176.217 176.519 -0.046 0.000 1.028 438 W CA -0.335 56.973 57.345 -0.062 0.000 1.228 438 W CB 2.016 31.425 29.460 -0.085 0.000 1.356 438 W HN 0.427 nan 8.180 nan 0.000 0.452 439 K N 3.184 123.620 120.400 0.060 0.000 2.502 439 K HA 0.175 4.496 4.320 0.001 0.000 0.254 439 K C -0.414 176.208 176.600 0.037 0.000 0.947 439 K CA -0.563 55.748 56.287 0.040 0.000 0.834 439 K CB 1.859 34.353 32.500 -0.010 0.000 1.112 439 K HN 0.588 nan 8.250 nan 0.000 0.427 440 D N 2.012 122.447 120.400 0.058 0.000 2.772 440 D HA -0.201 4.439 4.640 0.001 0.000 0.233 440 D C 0.777 177.122 176.300 0.075 0.000 1.143 440 D CA 1.726 55.758 54.000 0.053 0.000 0.700 440 D CB -0.828 39.989 40.800 0.028 0.000 1.076 440 D HN 1.074 nan 8.370 nan 0.000 0.430 441 G N -1.250 107.621 108.800 0.118 0.000 2.175 441 G HA2 -0.300 3.660 3.960 0.001 0.000 0.244 441 G HA3 -0.300 3.660 3.960 0.001 0.000 0.244 441 G C 0.231 175.260 174.900 0.214 0.000 0.982 441 G CA 0.401 45.605 45.100 0.173 0.000 0.641 441 G HN 0.460 nan 8.290 nan 0.000 0.527 442 L N 0.895 122.171 121.223 0.088 0.000 2.346 442 L HA 0.532 4.872 4.340 0.001 0.000 0.274 442 L C -2.264 174.358 176.870 -0.413 0.000 1.007 442 L CA -2.552 52.232 54.840 -0.095 0.000 0.818 442 L CB 2.172 44.160 42.059 -0.119 0.000 1.284 442 L HN -0.172 nan 8.230 nan 0.000 0.424 443 P HA 0.127 nan 4.420 nan 0.000 0.269 443 P C -1.063 175.880 177.300 -0.595 0.000 1.215 443 P CA -0.182 62.185 63.100 -1.222 0.000 0.780 443 P CB 0.901 31.951 31.700 -1.083 0.000 0.898 444 V N 2.122 121.712 119.914 -0.540 0.000 2.577 444 V HA 0.632 4.752 4.120 0.001 0.000 0.303 444 V C 0.512 176.433 176.094 -0.289 0.000 1.042 444 V CA -0.551 61.569 62.300 -0.300 0.000 0.872 444 V CB 1.941 33.626 31.823 -0.230 0.000 0.998 444 V HN 0.705 nan 8.190 nan 0.000 0.423 445 G N 2.315 110.990 108.800 -0.209 0.000 2.356 445 G HA2 0.623 4.584 3.960 0.001 0.000 0.322 445 G HA3 0.623 4.584 3.960 0.001 0.000 0.322 445 G C -0.028 174.694 174.900 -0.298 0.000 1.125 445 G CA -0.309 44.649 45.100 -0.237 0.000 0.885 445 G HN 1.026 nan 8.290 nan 0.000 0.467 446 G N 0.149 108.674 108.800 -0.458 0.000 2.356 446 G HA2 0.527 4.487 3.960 0.001 0.000 0.322 446 G HA3 0.527 4.487 3.960 0.001 0.000 0.322 446 G C -0.498 174.202 174.900 -0.334 0.000 1.125 446 G CA -0.460 44.325 45.100 -0.525 0.000 0.885 446 G HN 0.673 nan 8.290 nan 0.000 0.467 447 Q N 1.362 121.052 119.800 -0.184 0.000 2.312 447 Q HA 0.631 4.971 4.340 0.001 0.000 0.263 447 Q C -1.207 174.799 176.000 0.011 0.000 0.995 447 Q CA -0.669 55.075 55.803 -0.099 0.000 0.853 447 Q CB 1.423 30.097 28.738 -0.107 0.000 1.300 447 Q HN 0.460 nan 8.270 nan 0.000 0.448 448 L N 5.127 126.365 121.223 0.025 0.000 2.381 448 L HA 0.548 4.888 4.340 0.001 0.000 0.274 448 L C -0.692 176.228 176.870 0.083 0.000 0.988 448 L CA -0.674 54.218 54.840 0.086 0.000 0.824 448 L CB 1.746 43.858 42.059 0.088 0.000 1.263 448 L HN 0.604 nan 8.230 nan 0.000 0.410 449 I N 2.220 122.884 120.570 0.156 0.000 2.336 449 I HA 0.530 4.701 4.170 0.001 0.000 0.292 449 I C 0.683 176.960 176.117 0.267 0.000 0.991 449 I CA -0.294 61.119 61.300 0.189 0.000 1.227 449 I CB 1.665 39.834 38.000 0.281 0.000 1.366 449 I HN 0.656 nan 8.210 nan 0.000 0.466 450 G N 5.003 113.847 108.800 0.073 0.000 2.552 450 G HA2 0.498 4.459 3.960 0.001 0.000 0.324 450 G HA3 0.498 4.459 3.960 0.001 0.000 0.324 450 G C -0.638 173.975 174.900 -0.478 0.000 1.217 450 G CA -0.756 44.265 45.100 -0.133 0.000 0.989 450 G HN 0.506 nan 8.290 nan 0.000 0.490 451 K N -0.352 119.568 120.400 -0.800 0.000 2.219 451 K HA 0.163 4.484 4.320 0.001 0.000 0.258 451 K C -0.287 176.038 176.600 -0.457 0.000 1.008 451 K CA -0.208 55.576 56.287 -0.838 0.000 0.928 451 K CB 0.400 32.505 32.500 -0.658 0.000 0.983 451 K HN 0.582 nan 8.250 nan 0.000 0.484 452 H N 0.356 119.226 119.070 -0.334 0.000 3.167 452 H HA -0.157 4.400 4.556 0.000 0.000 0.306 452 H C -0.350 174.714 175.328 -0.440 0.000 0.965 452 H CA 1.307 56.999 56.048 -0.593 0.000 1.408 452 H CB -0.153 29.238 29.762 -0.618 0.000 1.406 452 H HN 0.684 nan 8.280 nan 0.000 0.576 453 W N 0.175 121.567 121.300 0.152 0.000 1.828 453 W HA -0.252 4.408 4.660 0.000 0.000 0.253 453 W C 0.437 177.042 176.519 0.143 0.000 1.019 453 W CA 0.482 57.916 57.345 0.149 0.000 0.447 453 W CB -1.057 28.479 29.460 0.125 0.000 2.033 453 W HN 0.517 nan 8.180 nan 0.000 1.268 454 D N 0.994 121.486 120.400 0.154 0.000 3.072 454 D HA 0.170 4.810 4.640 0.001 0.000 0.250 454 D C 1.326 177.671 176.300 0.074 0.000 1.304 454 D CA 0.323 54.392 54.000 0.116 0.000 0.861 454 D CB 0.016 40.816 40.800 -0.000 0.000 1.062 454 D HN 0.206 nan 8.370 nan 0.000 0.481 455 E N -1.223 119.045 120.200 0.113 0.000 2.153 455 E HA -0.114 4.237 4.350 0.001 0.000 0.194 455 E C 1.864 178.407 176.600 -0.094 0.000 0.988 455 E CA 0.972 57.319 56.400 -0.089 0.000 0.811 455 E CB 0.087 29.584 29.700 -0.339 0.000 0.746 455 E HN 0.213 nan 8.360 nan 0.000 0.466 456 T N 0.223 114.876 114.554 0.165 0.000 2.597 456 T HA -0.249 4.102 4.350 0.001 0.000 0.267 456 T C 1.936 176.713 174.700 0.129 0.000 1.053 456 T CA 2.090 64.325 62.100 0.225 0.000 1.165 456 T CB -0.717 68.348 68.868 0.329 0.000 0.863 456 T HN 0.249 nan 8.240 nan 0.000 0.427 457 T N 2.132 116.759 114.554 0.122 0.000 2.652 457 T HA -0.072 4.278 4.350 0.001 0.000 0.267 457 T C 1.918 176.687 174.700 0.116 0.000 1.039 457 T CA 0.906 63.079 62.100 0.123 0.000 1.153 457 T CB -0.520 68.409 68.868 0.102 0.000 0.863 457 T HN 0.036 nan 8.240 nan 0.000 0.428 458 L N 0.657 121.917 121.223 0.062 0.000 2.081 458 L HA -0.063 4.278 4.340 0.001 0.000 0.212 458 L C 2.311 179.220 176.870 0.065 0.000 1.080 458 L CA 1.474 56.342 54.840 0.047 0.000 0.754 458 L CB -1.020 41.029 42.059 -0.017 0.000 0.893 458 L HN 0.304 nan 8.230 nan 0.000 0.433 459 L N -1.886 119.358 121.223 0.035 0.000 2.072 459 L HA -0.195 4.145 4.340 0.001 0.000 0.205 459 L C 2.557 179.531 176.870 0.173 0.000 1.079 459 L CA 0.848 55.722 54.840 0.057 0.000 0.752 459 L CB -0.349 41.685 42.059 -0.041 0.000 0.906 459 L HN 0.332 nan 8.230 nan 0.000 0.436 460 Q N 0.153 120.065 119.800 0.186 0.000 2.020 460 Q HA -0.211 4.129 4.340 0.001 0.000 0.202 460 Q C 2.303 178.501 176.000 0.332 0.000 0.982 460 Q CA 1.636 57.594 55.803 0.258 0.000 0.838 460 Q CB -0.149 28.723 28.738 0.223 0.000 0.899 460 Q HN 0.484 nan 8.270 nan 0.000 0.423 461 I N 0.260 121.009 120.570 0.299 0.000 2.248 461 I HA -0.305 3.865 4.170 0.001 0.000 0.248 461 I C 2.559 178.880 176.117 0.341 0.000 1.107 461 I CA 0.923 62.413 61.300 0.316 0.000 1.373 461 I CB -0.380 37.743 38.000 0.206 0.000 1.055 461 I HN 0.190 nan 8.210 nan 0.000 0.418 462 S N 0.051 115.939 115.700 0.312 0.000 2.368 462 S HA -0.242 4.228 4.470 0.001 0.000 0.224 462 S C 2.141 177.009 174.600 0.447 0.000 1.029 462 S CA 1.191 59.608 58.200 0.362 0.000 0.988 462 S CB -0.366 62.995 63.200 0.267 0.000 0.838 462 S HN 0.493 nan 8.310 nan 0.000 0.462 463 Y N 1.916 122.376 120.300 0.267 0.000 2.181 463 Y HA -0.042 4.508 4.550 0.000 0.000 0.288 463 Y C 2.018 178.073 175.900 0.258 0.000 1.146 463 Y CA 1.645 59.886 58.100 0.235 0.000 1.164 463 Y CB -0.622 37.943 38.460 0.175 0.000 0.982 463 Y HN 0.375 nan 8.280 nan 0.000 0.515 464 L N -0.050 121.322 121.223 0.248 0.000 2.056 464 L HA -0.174 4.167 4.340 0.001 0.000 0.207 464 L C 2.246 179.258 176.870 0.238 0.000 1.078 464 L CA 2.023 56.972 54.840 0.181 0.000 0.749 464 L CB -1.487 40.763 42.059 0.318 0.000 0.901 464 L HN 0.594 nan 8.230 nan 0.000 0.433 465 W N 1.746 123.159 121.300 0.188 0.000 2.374 465 W HA -0.219 4.442 4.660 0.000 0.000 0.288 465 W C 2.064 178.755 176.519 0.287 0.000 1.218 465 W CA 1.774 59.273 57.345 0.256 0.000 1.245 465 W CB 0.001 29.670 29.460 0.348 0.000 1.126 465 W HN 0.644 nan 8.180 nan 0.000 0.545 466 E N 0.005 120.329 120.200 0.207 0.000 2.208 466 E HA -0.236 4.114 4.350 0.001 0.000 0.193 466 E C 1.897 178.447 176.600 -0.083 0.000 0.988 466 E CA 0.912 57.347 56.400 0.059 0.000 0.828 466 E CB -0.738 29.073 29.700 0.184 0.000 0.763 466 E HN 0.231 nan 8.360 nan 0.000 0.478 467 Q N 1.400 121.119 119.800 -0.135 0.000 2.061 467 Q HA -0.130 4.211 4.340 0.001 0.000 0.204 467 Q C 2.071 177.994 176.000 -0.128 0.000 0.984 467 Q CA 1.514 57.233 55.803 -0.141 0.000 0.846 467 Q CB -0.259 28.382 28.738 -0.161 0.000 0.902 467 Q HN 0.396 nan 8.270 nan 0.000 0.421 468 K N -0.708 119.602 120.400 -0.150 0.000 2.103 468 K HA -0.038 4.282 4.320 0.001 0.000 0.204 468 K C 0.411 176.874 176.600 -0.229 0.000 1.052 468 K CA 0.496 56.680 56.287 -0.173 0.000 0.945 468 K CB 0.163 32.554 32.500 -0.182 0.000 0.722 468 K HN 0.016 nan 8.250 nan 0.000 0.443 469 F N 1.655 121.251 119.950 -0.590 0.000 2.716 469 F HA 0.230 4.758 4.527 0.000 0.000 0.354 469 F C -1.048 174.520 175.800 -0.387 0.000 1.168 469 F CA -0.987 56.683 58.000 -0.551 0.000 1.045 469 F CB 0.968 39.422 39.000 -0.910 0.000 1.311 469 F HN -0.330 nan 8.300 nan 0.000 0.477 470 K N 5.607 125.517 120.400 -0.816 0.000 2.155 470 K HA 0.085 4.406 4.320 0.001 0.000 0.240 470 K C 0.589 176.504 176.600 -1.141 0.000 1.193 470 K CA -0.081 55.584 56.287 -1.036 0.000 1.104 470 K CB -0.389 31.530 32.500 -0.969 0.000 1.558 470 K HN 0.770 nan 8.250 nan 0.000 0.313 471 H N -1.064 117.665 119.070 -0.568 0.000 2.521 471 H HA -0.170 4.386 4.556 0.001 0.000 0.286 471 H C 1.342 176.685 175.328 0.025 0.000 1.034 471 H CA 0.885 56.847 56.048 -0.143 0.000 1.278 471 H CB -0.581 29.414 29.762 0.388 0.000 1.386 471 H HN 0.658 nan 8.280 nan 0.000 0.567 472 Y N 0.453 120.709 120.300 -0.074 0.000 2.571 472 Y HA 0.146 4.696 4.550 0.000 0.000 0.294 472 Y C 1.394 177.346 175.900 0.088 0.000 1.141 472 Y CA 0.309 58.469 58.100 0.100 0.000 1.308 472 Y CB -0.251 38.224 38.460 0.025 0.000 1.002 472 Y HN 0.234 nan 8.280 nan 0.000 0.551 473 E N 0.938 120.974 120.200 -0.275 0.000 2.385 473 E HA 0.030 4.381 4.350 0.001 0.000 0.194 473 E C 0.152 176.726 176.600 -0.044 0.000 1.013 473 E CA 0.022 56.334 56.400 -0.148 0.000 0.866 473 E CB 0.159 29.671 29.700 -0.312 0.000 0.832 473 E HN 0.372 nan 8.360 nan 0.000 0.500 474 K N 1.707 122.091 120.400 -0.026 0.000 2.278 474 K HA 0.216 4.537 4.320 0.001 0.000 0.289 474 K C -0.354 176.484 176.600 0.397 0.000 1.080 474 K CA 0.339 56.658 56.287 0.054 0.000 0.934 474 K CB 0.537 32.811 32.500 -0.378 0.000 1.093 474 K HN 0.048 nan 8.250 nan 0.000 0.459 475 I N 5.951 126.673 120.570 0.253 0.000 2.362 475 I HA 0.232 4.402 4.170 0.001 0.000 0.289 475 I C -1.822 174.175 176.117 -0.200 0.000 0.994 475 I CA -2.280 59.100 61.300 0.133 0.000 1.158 475 I CB 1.651 39.759 38.000 0.180 0.000 1.315 475 I HN 0.383 nan 8.210 nan 0.000 0.451 476 P HA 0.286 nan 4.420 nan 0.000 0.279 476 P C 0.088 177.138 177.300 -0.416 0.000 1.276 476 P CA -0.451 62.050 63.100 -0.998 0.000 0.801 476 P CB 0.950 31.694 31.700 -1.593 0.000 1.127 477 L N -2.007 119.022 121.223 -0.325 0.000 3.762 477 L HA -0.287 4.053 4.340 0.001 0.000 0.460 477 L C 0.681 177.487 176.870 -0.107 0.000 1.255 477 L CA 0.852 55.583 54.840 -0.181 0.000 0.783 477 L CB -3.013 38.936 42.059 -0.183 0.000 1.600 477 L HN 1.058 nan 8.230 nan 0.000 0.862 478 T N 0.000 114.512 114.554 -0.070 0.000 3.816 478 T HA 0.000 4.350 4.350 0.001 0.000 0.228 478 T CA 0.000 62.098 62.100 -0.003 0.000 1.349 478 T CB 0.000 68.866 68.868 -0.004 0.000 0.612 478 T HN 0.000 nan 8.240 nan 0.000 0.658